chemeq-2.12.orig/0000755000175000017500000000000012244451347014043 5ustar georgeskgeorgeskchemeq-2.12.orig/chemeq.10000644000175000017500000002011212160265615015361 0ustar georgeskgeorgesk'\" t .\" Title: CHEMEQ .\" Author: Georges Khaznadar .\" Generator: DocBook XSL Stylesheets v1.76.1 .\" Date: 06/19/2013 .\" Manual: User Manuals .\" Source: chemeq 2.10 .\" Language: English .\" .TH "CHEMEQ" "1" "06/19/2013" "chemeq 2.10" "User Manuals" .\" ----------------------------------------------------------------- .\" * Define some portability stuff .\" ----------------------------------------------------------------- .\" ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .\" http://bugs.debian.org/507673 .\" http://lists.gnu.org/archive/html/groff/2009-02/msg00013.html .\" ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .ie \n(.g .ds Aq \(aq .el .ds Aq ' .\" ----------------------------------------------------------------- .\" * set default formatting .\" ----------------------------------------------------------------- .\" disable hyphenation .nh .\" disable justification (adjust text to left margin only) .ad l .\" ----------------------------------------------------------------- .\" * MAIN CONTENT STARTS HERE * .\" ----------------------------------------------------------------- .SH "NAME" chemeq \- Chemical Equation Parser and Renderer .SH "SYNOPSIS" .HP \w'\fBchemeq\fR\ 'u \fBchemeq\fR [\fB\-M\fR] [\fB\-m\fR] [\fB\-l\fR] [\fB\-c\fR] [\fB\-w\fR] [\fB\-C\fR] [\fB\-e\fR] [\fB\-s\fR] [\fB\-n\fR] [\fB\-W\fR] .HP \w'\fBchemeq\fR\ 'u \fBchemeq\fR [\fB\-h\fR] [\fB\-v\fR] .SH "DESCRIPTION" .PP \fBchemeq\fR is a chemical equation analyzer\&. It is a fast lexical and syntaxic analyser which helps to find out chemical informations embedded in source chemical equations\&. Data can be output in various sophisticated formats, depending on options\&. \*(Aqchemeq\*(Aq defaults to \*(Aqchemeq \-mlcwCn\*(Aq\&. .SH "OPTIONS" .PP \fB\-M\fR .RS 4 Outputs al list of space separated molecular weights\&. .RE .PP \fB\-m\fR .RS 4 Outputs a \fBm\fRinimal output\&. It allows chemeq to be idempotent, i\&.e\&. the command \*(Aqchemeq | chemeq\*(Aq is equivalent to \*(Aqchemeq\*(Aq\&. .RE .PP \fB\-l\fR .RS 4 Outputs a \fBL\fRaTeX string representing the chemical equation\&. .RE .PP \fB\-c\fR .RS 4 Outputs a message giving informations about the Conservation of elements and charges in the equation\&. \*(AqOK\*(Aq means that both elements and electric charges are balanced\&. .RE .PP \fB\-w\fR .RS 4 Outputs the LaTeX string representing the Gulder\-\fBW\fRaage equation related to the input chemical equation, or the Nernst equation, if the input equation is a redox semi\-equation\&. .RE .PP \fB\-C\fR .RS 4 Outputs a detailed \fBC\fRount of the molecules and atoms contained in each member of the chemical equation\&. For example for the equation "H2_g + 1/2 O2_g \-\-> H2O" it outputs: "H2_g|H:1*2, 1/2 O2_g|O:1/2*2; H2O|H:1*2 O:1*1" .RE .PP \fB\-e\fR .RS 4 Outputs a detailed count of the \fBE\fRlectrical charges\&. .RE .PP \fB\-s\fR .RS 4 Outputs a list of the chemical \fBS\fRpecies\&. .RE .PP \fB\-n\fR .RS 4 Outputs a \fBN\fRormalized string accounting for the input equation\&. Two chemical equations having the same normalized string are chemically equivalent, even if the molecules are scrambled around and the coefficient are not equal but proportionnal\&. .RE .PP \fB\-W\fR .RS 4 Changes the behavior of the renderer for some versions of \fBW\fRims : works around a bug whith the macro \erightarrow\&. .RE .PP \fB\-h\fR .RS 4 Displays \fBH\fRelp\&. .RE .PP \fB\-v\fR .RS 4 Displays the \fBV\fRersion number .RE .SH "ENVIRONMENT" .PP \fBchemeq_input\fR, \fBw_chemeq_input\fR .RS 4 if set, this variables\*(Aqs value overrides the standard input\&. If this variable is not set, the variable w_chemeq_input is taken in account (useful for the WIMS server)\&. See above (useful for the WIMS server)\&. .RE .PP \fBchemeq_option\fR .RS 4 if set, this variable\*(Aqs value overrides the options\&.If this variable is not set, the variable w_chemeq_option is taken in account (useful for the WIMS server)\&. .RE .PP \fBw_chemeq_option\fR .RS 4 See above (useful for the WIMS server)\&. .RE .SH "EXAMPLES" .PP \fBecho "1/2 Cu^2+ + OH\- \-> 1/2Cu(OH)2s" | chemeq\fR .RS 4 will display informations about the reaction of hydroxyde and Cu II ions\&. .RE .PP \fBecho "MnO4^\- + 8H3O^+ + 5e\- \-\-> Mn^2+ + 12 H2O" | chemeq\fR .RS 4 will display informations about the reaction of reduction of permanganate ions in an acid environment\&. .RE .PP \fBecho "MnO4^\- + 8H3O^+ + 5e\- \-\-> Mn^2+ + 12 H2O" | chemeq \-w\fR .RS 4 will display the LaTeX format for the Nernst law related to the reduction of permanganate ions in an acid environment\&. .RE .PP \fBecho "MnO4^\- + 8H3O^+ + 5e\- \-\-> Mn^2+ + 8 H2O" | chemeq \-c\fR .RS 4 will highlight the lack of conservation of elements H and O (water molecules are not well balanced)\&. .RE .SH "NOTES" .PP \fBsyntax of ions\fR .RS 4 allthough in some cases, shorter expressions are sucessfully parsed, it is safer to consider that an "up arrow" (^) must be put before the charge symbols of an ion\&. Examples : H3O^+, Fe(CN)6^4\-, OH^\- .RE .PP \fBComposing chemical equations\fR .RS 4 Two operators are defined, # as an additive oprator and ~ (tilde) as a substractive operator: they allow to compose several chemical equations .sp \fB echo "MnO4^\- + 8H3O^+ + 5e\- \-\-> Mn^2+ + 8 H2O ~ 5Fe^3+ + 5e\- \-> 5Fe^2+" | chemeq\fR .sp will display the pure redox equation from the first equation, minus the second one\&. Electrons are simplified\&. So it will be equivalent to: .sp \fB echo "MnO4^\- + 8H3O^+ + 5Fe^2+\-\-> Mn^2+ + 8 H2O + 5Fe^3+" | chemeq \fR which is their combination\&. .RE .PP \fBMutiplying a chemical equation by one coefficient\fR .RS 4 The operator * permits to multiply a whole equation by one coefficient which may be a fraction\&. Here is an example: .sp \fB echo "5 * Fe^3+ + e\- \-> Fe^2+" | chemeq \fR .sp will be equivalent to .sp \fB echo "5Fe^3+ + 5e\- \-> 5Fe^2+" | chemeq\fR .RE .PP \fBCombining chemical equations, with coefficients\fR .RS 4 The two previous techniques can be used at the same time, which enables you to make more comlicated combinations, like this one: .sp \fB echo "Fe^3+ + e^\- \-> Fe^2+ (0\&.77 V) # Fe^2+ + 6CN^\- \-> Fe(CN)6^4\- (Kfa=1e24) ~ Fe^3+ + 6CN^\- \-> Fe(CN)6^3\- (Kfb=1e31)" | chemeq \fR .sp which will work as expected, and yeld a good value for the stan\(hy dard potential of the redox couple of hexacyanoferrate II and III ions\&. .RE .SH "KNOWN BUGS" .PP When not specified, chemical entities coming from the standard input are believed to be in aqueous solutions\&. Water is considered by default as the main solvent\&. Only one liquid (aqueous) phase is currently taken in account\&. All solid chemical entities are considered as parts of separated phases\&. Suffixes _s, _g and _aq can be used to enforce the type of some chemical entities\&. There may be problemes when you write a standard potential with no decimal dot\&. For example, the entry \fBMn^2+ + 2e^\- \-> Mn_s (\-1 V)\fR would trigger an error\&. Then write \fBMn^2+ + 2e^\- \-> Mn_s (\-1\&.0 V)\fR or the more accurate value \fBMn^2+ + 2e^\- \-> Mn_s (\-1\&.18 V)\fR and there will be no error\&. .SH "AUTHOR" .PP \fBGeorges Khaznadar\fR <\&georgesk@debian\&.org\&> .RS 4 Wrote this manpage\&. .RE .SH "COPYRIGHT" .br Copyright \(co 2000-2013 Georges Khaznadar .br .PP Redistribution and use of this manpage in source and binary forms, with or without modification, are permitted under the terms of the GNU General Public Licenses, version 2 .PP THIS SOFTWARE IS PROVIDED BY THE AUTHOR "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED\&. IN NO EVENT SHALL THE AUTHOR BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE\&. .sp chemeq-2.12.orig/Makefile0000644000175000017500000000163412160260675015506 0ustar georgeskgeorgeskINSTALL=install DESTDIR = BIN = $(DESTDIR)/usr/bin MAN1 = $(DESTDIR)/usr/share/man/man1 DOC = $(DESTDIR)/usr/share/doc/chemeq TESTS = $(DOC)/tests TESTSUITE = tests/chemreport tests/chemreport.pl \ tests/chemtest tests/chemtest.pl TESTSTUFF = tests/test.stuff all : (cd src; ${MAKE}) demo : all (cd tests; chemreport) test : all (cd tests; PATH=../src:$$PATH sh chemtest) install : all ${INSTALL} -d $(BIN) $(MAN1) $(TESTS) ${INSTALL} src/chemeq $(BIN) gzip -c -9 chemeq.1 > chemeq.1.gz ${INSTALL} -m644 chemeq.1.gz $(MAN1) ${INSTALL} -m755 $(TESTSUITE) $(TESTS) ${INSTALL} -m644 $(TESTSTUFF) $(TESTS) uninstall : rm $(BIN)/chemeq rm $(MAN1)/chemeq.1.gz rm -rf $(DOC) clean : rm -f *~ *.gz semantic.cache (cd src; ${MAKE} clean) chemeq.1: chemeq.man.xml xsltproc --nonet --param man.charmap.use.subset "0" \ --param make.year.ranges "1" \ --param make.single.year.ranges "1" \ $<chemeq-2.12.orig/chemeq.man.xml0000644000175000017500000003245712160265563016614 0ustar georgeskgeorgesk ]> &dhtitle; &dhproduct; &dhrelease; Georges Khaznadar Wrote this manpage.
georgesk@debian.org
2000-2013 Georges Khaznadar Redistribution and use of this manpage in source and binary forms, with or without modification, are permitted under the terms of the GNU General Public Licenses, version 2 THIS SOFTWARE IS PROVIDED BY THE AUTHOR "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE AUTHOR BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. &dhucpackage; &dhsection; &dhpackage; Chemical Equation Parser and Renderer &dhpackage; &dhpackage; DESCRIPTION &dhpackage; is a chemical equation analyzer. It is a fast lexical and syntaxic analyser which helps to find out chemical informations embedded in source chemical equations. Data can be output in various sophisticated formats, depending on options. 'chemeq' defaults to 'chemeq -mlcwCn'. OPTIONS Outputs al list of space separated molecular weights. Outputs a inimal output. It allows chemeq to be idempotent, i.e. the command 'chemeq | chemeq' is equivalent to 'chemeq'. Outputs a aTeX string representing the chemical equation. Outputs a message giving informations about the Conservation of elements and charges in the equation. 'OK' means that both elements and electric charges are balanced. Outputs the LaTeX string representing the Gulder-aage equation related to the input chemical equation, or the Nernst equation, if the input equation is a redox semi-equation. Outputs a detailed ount of the molecules and atoms contained in each member of the chemical equation. For example for the equation "H2_g + 1/2 O2_g --> H2O" it outputs: "H2_g|H:1*2, 1/2 O2_g|O:1/2*2; H2O|H:1*2 O:1*1" Outputs a detailed count of the lectrical charges. Outputs a list of the chemical pecies. Outputs a ormalized string accounting for the input equation. Two chemical equations having the same normalized string are chemically equivalent, even if the molecules are scrambled around and the coefficient are not equal but proportionnal. Changes the behavior of the renderer for some versions of ims : works around a bug whith the macro \rightarrow. Displays elp. Displays the ersion number ENVIRONMENT chemeq_input if set, this variables's value overrides the standard input. If this variable is not set, the variable w_chemeq_input is taken in account (useful for the WIMS server). w_chemeq_input See above (useful for the WIMS server). chemeq_option if set, this variable's value overrides the options.If this variable is not set, the variable w_chemeq_option is taken in account (useful for the WIMS server). w_chemeq_option See above (useful for the WIMS server). EXAMPLES will display informations about the reaction of hydroxyde and Cu II ions. will display informations about the reaction of reduction of permanganate ions in an acid environment. will display the LaTeX format for the Nernst law related to the reduction of permanganate ions in an acid environment. will highlight the lack of conservation of elements H and O (water molecules are not well balanced). NOTES allthough in some cases, shorter expressions are sucessfully parsed, it is safer to consider that an "up arrow" (^) must be put before the charge symbols of an ion. Examples : H3O^+, Fe(CN)6^4-, OH^- Two operators are defined, # as an additive oprator and ~ (tilde) as a substractive operator: they allow to compose several chemical equations will display the pure redox equation from the first equation, minus the second one. Electrons are simplified. So it will be equivalent to: which is their combination. The operator * permits to multiply a whole equation by one coefficient which may be a fraction. Here is an example: will be equivalent to The two previous techniques can be used at the same time, which enables you to make more comlicated combinations, like this one: which will work as expected, and yeld a good value for the stan‐ dard potential of the redox couple of hexacyanoferrate II and III ions. KNOWN BUGS When not specified, chemical entities coming from the standard input are believed to be in aqueous solutions. Water is considered by default as the main solvent. Only one liquid (aqueous) phase is currently taken in account. All solid chemical entities are considered as parts of separated phases. Suffixes _s, _g and _aq can be used to enforce the type of some chemical entities. There may be problemes when you write a standard potential with no decimal dot. For example, the entry would trigger an error. Then write or the more accurate value and there will be no error. chemeq-2.12.orig/COPYING0000644000175000017500000010437411222350021015065 0ustar georgeskgeorgesk GNU GENERAL PUBLIC LICENSE Version 3, 29 June 2007 Copyright (C) 2007 Free Software Foundation, Inc. Everyone is permitted to copy and distribute verbatim copies of this license document, but changing it is not allowed. Preamble The GNU General Public License is a free, copyleft license for software and other kinds of works. The licenses for most software and other practical works are designed to take away your freedom to share and change the works. By contrast, the GNU General Public License is intended to guarantee your freedom to share and change all versions of a program--to make sure it remains free software for all its users. We, the Free Software Foundation, use the GNU General Public License for most of our software; it applies also to any other work released this way by its authors. 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The hypothetical commands `show w' and `show c' should show the appropriate parts of the General Public License. Of course, your program's commands might be different; for a GUI interface, you would use an "about box". You should also get your employer (if you work as a programmer) or school, if any, to sign a "copyright disclaimer" for the program, if necessary. For more information on this, and how to apply and follow the GNU GPL, see . The GNU General Public License does not permit incorporating your program into proprietary programs. If your program is a subroutine library, you may consider it more useful to permit linking proprietary applications with the library. If this is what you want to do, use the GNU Lesser General Public License instead of this License. But first, please read . chemeq-2.12.orig/LISEZMOI0000644000175000017500000001007512244451254015221 0ustar georgeskgeorgesk ------------------------------------------- chemeq V2.12-1 ------------------------------------------- (c)2000-2013 G. Khaznadar ------------------------------------------- chemeq est un filtre simple et autonome écrit en langage C, flex et bison. Il accepte des entrées telles que : 2H2 + O2 ---> 2 H2O et produit sur sa sortie standard du code LaTeX et des messages relatifs à l'équilibre d'une équation de réaction chimique. exemple:~/src$ echo "2H2 + O2 ---> 2 H2O" | chemeq -lc 2\,H_{2}\,+\,O_{2}\,\rightarrow\,2\,H_{2}O OK exemple:~/src$ ce qui signifie : 2 molécules de dihydrogène réagissent avec une molécule de dioxygène pour donner deux molécules d'eau. La première ligne, "2\,H_{2}\,+\,O_{2}\,\rightarrow\,2\,H_{2}O" est une réécriture de l'équation en langage LaTeX. La deuxième ligne "OK" signifie que l'équation de réaction est équilibrée. Quand la chaîne d'entrée n'est pas reconnue, le filtre échoue et renvoie un code 1. exemple:~/src$ echo "2H^2 + O2 ---> 2 H2O" | chemeq -lc ERROR parse error at 4 exemple:~/src$ NOTE : syntaxe des ions. Bien que dans certains cas, une expression plus courte soit acceptée, il est préférable de mettre une flèche haute (^) devant les symboles de charge d'un ion. Exemples : H3O^+, Fe(CN)6^4-, OH^- NOTE : crochets L'écriture de crochets est autorisée autour de la notation d'un corps simple, comme pour [Fe(CN)6]4-, et seulement dans ce cas. NOTE : constantes d'équilibre chimique. Pour les équilibres chiliques, la constante pour l'équation de Gulder-Waage ou le potentiel pour l'équation de Nernst peut être écrite à la fin de l'équation, entre parenthèses. Voir quelques exemples dans src/test.1, et typographiez-les grâce à LaTeX par la commande src/chemreport Ce filtre peut être utilisé au sein de systèmes d'examens éducatifs, pour analyser la réponse d'un étudiant à un problème de physique ou de chimie. Ce petit bout de code est sous GPL, voyez le fichier COPYING. Les suggestions sont bienvenues. -- Georges. ----------------------------------------------------------- Les options de chemeq ----------------------------------------------------------- On peut choisir le format de sortie de chemeq en spécifiant quelques options. Les options valides sont les suivantes : -h produit un message d'aide en anglais (*H*elp) -m Produit une sortie *M*inimale. Ainsi chemeq est idempotent, c'est à dire que les commandes 'chemeq | chemeq' et 'chemeq' sont équivalentes. -l Prouduit une chaîne *L*atex représentant l'équation chimique. -c Produit un message donnant des indications sur la *C*onservation des éléments et des charges. 'OK' signifie que les éléments et les charges sont conservés. -w Produit la chaîne LaTeX qui représente l'équation de Gulder-*W*aage relative à l'équation chimique, ou l'équation de Nernst, si l'équation de départ est une demi-réaction rédox. -n Produit une chaîne *N*ormalisée représentant l'équation de départ. Deux équations chimiques ayant la même chaîne normalisée sont chimiquement équivalentes, même si l'ordre des molécules est différent, et si les coefficients ne sont pas égaux mais proportionnels. Par défaut, 'chemeq' est équivalent à 'chemeq -mlcwn'. ----------------------------------------------------------- INSTALLATION ----------------------------------------------------------- Pour compiler chemeq, lancez 'make' dans le répertoire principal chemeq. Pour l'installer avec sa page de manuel, lancez 'make install' dans ce même répertoire. ----------------------------------------------------------- TEST et DEMONSTRATION ----------------------------------------------------------- Si on modifie le code source, il est possible de tester sa conformité aux versions précédentes en lançant 'make test' dans le répertoire principal. Si 'make test' répond 'OK' à chaque item, et que latex et xdvi sont installés, on peut lancer 'make demo' pour voir quelques exemples de traitement typographique. chemeq-2.12.orig/src/0000755000175000017500000000000012244451025014623 5ustar georgeskgeorgeskchemeq-2.12.orig/src/chemlex.cc0000644000175000017500000013035712244451023016566 0ustar georgeskgeorgesk#line 2 "chemlex.cc" #line 4 "chemlex.cc" #define YY_INT_ALIGNED short int /* A lexical scanner generated by flex */ #define FLEX_SCANNER #define YY_FLEX_MAJOR_VERSION 2 #define YY_FLEX_MINOR_VERSION 5 #define YY_FLEX_SUBMINOR_VERSION 35 #if YY_FLEX_SUBMINOR_VERSION > 0 #define FLEX_BETA #endif /* The c++ scanner is a mess. The FlexLexer.h header file relies on the * following macro. This is required in order to pass the c++-multiple-scanners * test in the regression suite. We get reports that it breaks inheritance. * We will address this in a future release of flex, or omit the C++ scanner * altogether. */ #define yyFlexLexer yyFlexLexer /* First, we deal with platform-specific or compiler-specific issues. */ /* begin standard C headers. */ /* end standard C headers. */ /* flex integer type definitions */ #ifndef FLEXINT_H #define FLEXINT_H /* C99 systems have . Non-C99 systems may or may not. */ #if defined (__STDC_VERSION__) && __STDC_VERSION__ >= 199901L /* C99 says to define __STDC_LIMIT_MACROS before including stdint.h, * if you want the limit (max/min) macros for int types. */ #ifndef __STDC_LIMIT_MACROS #define __STDC_LIMIT_MACROS 1 #endif #include typedef int8_t flex_int8_t; typedef uint8_t flex_uint8_t; typedef int16_t flex_int16_t; typedef uint16_t flex_uint16_t; typedef int32_t flex_int32_t; typedef uint32_t flex_uint32_t; #else typedef signed char flex_int8_t; typedef short int flex_int16_t; typedef int flex_int32_t; typedef unsigned char flex_uint8_t; typedef unsigned short int flex_uint16_t; typedef unsigned int flex_uint32_t; /* Limits of integral types. */ #ifndef INT8_MIN #define INT8_MIN (-128) #endif #ifndef INT16_MIN #define INT16_MIN (-32767-1) #endif #ifndef INT32_MIN #define INT32_MIN (-2147483647-1) #endif #ifndef INT8_MAX #define INT8_MAX (127) #endif #ifndef INT16_MAX #define INT16_MAX (32767) #endif #ifndef INT32_MAX #define INT32_MAX (2147483647) #endif #ifndef UINT8_MAX #define UINT8_MAX (255U) #endif #ifndef UINT16_MAX #define UINT16_MAX (65535U) #endif #ifndef UINT32_MAX #define UINT32_MAX (4294967295U) #endif #endif /* ! C99 */ #endif /* ! FLEXINT_H */ /* begin standard C++ headers. */ #include #include #include #include #include /* end standard C++ headers. */ #ifdef __cplusplus /* The "const" storage-class-modifier is valid. */ #define YY_USE_CONST #else /* ! __cplusplus */ /* C99 requires __STDC__ to be defined as 1. */ #if defined (__STDC__) #define YY_USE_CONST #endif /* defined (__STDC__) */ #endif /* ! __cplusplus */ #ifdef YY_USE_CONST #define yyconst const #else #define yyconst #endif /* Returned upon end-of-file. */ #define YY_NULL 0 /* Promotes a possibly negative, possibly signed char to an unsigned * integer for use as an array index. If the signed char is negative, * we want to instead treat it as an 8-bit unsigned char, hence the * double cast. */ #define YY_SC_TO_UI(c) ((unsigned int) (unsigned char) c) /* Enter a start condition. This macro really ought to take a parameter, * but we do it the disgusting crufty way forced on us by the ()-less * definition of BEGIN. */ #define BEGIN (yy_start) = 1 + 2 * /* Translate the current start state into a value that can be later handed * to BEGIN to return to the state. The YYSTATE alias is for lex * compatibility. */ #define YY_START (((yy_start) - 1) / 2) #define YYSTATE YY_START /* Action number for EOF rule of a given start state. */ #define YY_STATE_EOF(state) (YY_END_OF_BUFFER + state + 1) /* Special action meaning "start processing a new file". */ #define YY_NEW_FILE yyrestart( yyin ) #define YY_END_OF_BUFFER_CHAR 0 /* Size of default input buffer. */ #ifndef YY_BUF_SIZE #ifdef __ia64__ /* On IA-64, the buffer size is 16k, not 8k. * Moreover, YY_BUF_SIZE is 2*YY_READ_BUF_SIZE in the general case. * Ditto for the __ia64__ case accordingly. */ #define YY_BUF_SIZE 32768 #else #define YY_BUF_SIZE 16384 #endif /* __ia64__ */ #endif /* The state buf must be large enough to hold one state per character in the main buffer. */ #define YY_STATE_BUF_SIZE ((YY_BUF_SIZE + 2) * sizeof(yy_state_type)) #ifndef YY_TYPEDEF_YY_BUFFER_STATE #define YY_TYPEDEF_YY_BUFFER_STATE typedef struct yy_buffer_state *YY_BUFFER_STATE; #endif extern int yyleng; #define EOB_ACT_CONTINUE_SCAN 0 #define EOB_ACT_END_OF_FILE 1 #define EOB_ACT_LAST_MATCH 2 #define YY_LESS_LINENO(n) /* Return all but the first "n" matched characters back to the input stream. */ #define yyless(n) \ do \ { \ /* Undo effects of setting up yytext. */ \ int yyless_macro_arg = (n); \ YY_LESS_LINENO(yyless_macro_arg);\ *yy_cp = (yy_hold_char); \ YY_RESTORE_YY_MORE_OFFSET \ (yy_c_buf_p) = yy_cp = yy_bp + yyless_macro_arg - YY_MORE_ADJ; \ YY_DO_BEFORE_ACTION; /* set up yytext again */ \ } \ while ( 0 ) #define unput(c) yyunput( c, (yytext_ptr) ) #ifndef YY_TYPEDEF_YY_SIZE_T #define YY_TYPEDEF_YY_SIZE_T typedef size_t yy_size_t; #endif #ifndef YY_STRUCT_YY_BUFFER_STATE #define YY_STRUCT_YY_BUFFER_STATE struct yy_buffer_state { std::istream* yy_input_file; char *yy_ch_buf; /* input buffer */ char *yy_buf_pos; /* current position in input buffer */ /* Size of input buffer in bytes, not including room for EOB * characters. */ yy_size_t yy_buf_size; /* Number of characters read into yy_ch_buf, not including EOB * characters. */ int yy_n_chars; /* Whether we "own" the buffer - i.e., we know we created it, * and can realloc() it to grow it, and should free() it to * delete it. */ int yy_is_our_buffer; /* Whether this is an "interactive" input source; if so, and * if we're using stdio for input, then we want to use getc() * instead of fread(), to make sure we stop fetching input after * each newline. */ int yy_is_interactive; /* Whether we're considered to be at the beginning of a line. * If so, '^' rules will be active on the next match, otherwise * not. */ int yy_at_bol; int yy_bs_lineno; /**< The line count. */ int yy_bs_column; /**< The column count. */ /* Whether to try to fill the input buffer when we reach the * end of it. */ int yy_fill_buffer; int yy_buffer_status; #define YY_BUFFER_NEW 0 #define YY_BUFFER_NORMAL 1 /* When an EOF's been seen but there's still some text to process * then we mark the buffer as YY_EOF_PENDING, to indicate that we * shouldn't try reading from the input source any more. We might * still have a bunch of tokens to match, though, because of * possible backing-up. * * When we actually see the EOF, we change the status to "new" * (via yyrestart()), so that the user can continue scanning by * just pointing yyin at a new input file. */ #define YY_BUFFER_EOF_PENDING 2 }; #endif /* !YY_STRUCT_YY_BUFFER_STATE */ /* We provide macros for accessing buffer states in case in the * future we want to put the buffer states in a more general * "scanner state". * * Returns the top of the stack, or NULL. */ #define YY_CURRENT_BUFFER ( (yy_buffer_stack) \ ? (yy_buffer_stack)[(yy_buffer_stack_top)] \ : NULL) /* Same as previous macro, but useful when we know that the buffer stack is not * NULL or when we need an lvalue. For internal use only. */ #define YY_CURRENT_BUFFER_LVALUE (yy_buffer_stack)[(yy_buffer_stack_top)] void *yyalloc (yy_size_t ); void *yyrealloc (void *,yy_size_t ); void yyfree (void * ); #define yy_new_buffer yy_create_buffer #define yy_set_interactive(is_interactive) \ { \ if ( ! YY_CURRENT_BUFFER ){ \ yyensure_buffer_stack (); \ YY_CURRENT_BUFFER_LVALUE = \ yy_create_buffer( yyin, YY_BUF_SIZE ); \ } \ YY_CURRENT_BUFFER_LVALUE->yy_is_interactive = is_interactive; \ } #define yy_set_bol(at_bol) \ { \ if ( ! YY_CURRENT_BUFFER ){\ yyensure_buffer_stack (); \ YY_CURRENT_BUFFER_LVALUE = \ yy_create_buffer( yyin, YY_BUF_SIZE ); \ } \ YY_CURRENT_BUFFER_LVALUE->yy_at_bol = at_bol; \ } #define YY_AT_BOL() (YY_CURRENT_BUFFER_LVALUE->yy_at_bol) #define YY_SKIP_YYWRAP typedef unsigned char YY_CHAR; #define yytext_ptr yytext #define YY_INTERACTIVE #include int yyFlexLexer::yywrap() { return 1; } /* Done after the current pattern has been matched and before the * corresponding action - sets up yytext. */ #define YY_DO_BEFORE_ACTION \ (yytext_ptr) = yy_bp; \ yyleng = (size_t) (yy_cp - yy_bp); \ (yy_hold_char) = *yy_cp; \ *yy_cp = '\0'; \ (yy_c_buf_p) = yy_cp; #define YY_NUM_RULES 31 #define YY_END_OF_BUFFER 32 /* This struct is not used in this scanner, but its presence is necessary. */ struct yy_trans_info { flex_int32_t yy_verify; flex_int32_t yy_nxt; }; static yyconst flex_int16_t yy_accept[54] = { 0, 0, 0, 32, 30, 21, 29, 27, 3, 4, 19, 18, 17, 8, 26, 1, 1, 6, 7, 22, 30, 30, 2, 24, 23, 28, 21, 5, 16, 29, 12, 11, 13, 9, 20, 0, 14, 15, 0, 0, 8, 0, 1, 1, 0, 24, 23, 25, 9, 0, 10, 0, 9, 0 } ; static yyconst flex_int32_t yy_ec[256] = { 0, 1, 1, 1, 1, 1, 1, 1, 1, 2, 3, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 1, 1, 4, 1, 1, 1, 1, 5, 6, 7, 8, 1, 9, 10, 11, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 1, 1, 1, 13, 14, 1, 1, 15, 15, 15, 15, 16, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 17, 15, 15, 15, 15, 15, 18, 1, 19, 20, 21, 1, 22, 23, 23, 23, 24, 23, 25, 23, 23, 23, 23, 23, 23, 23, 23, 23, 26, 23, 27, 23, 28, 23, 23, 23, 23, 23, 1, 1, 1, 29, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 } ; static yyconst flex_int32_t yy_meta[30] = { 0, 1, 1, 2, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 3, 3, 3, 3, 3, 3, 3, 1 } ; static yyconst flex_int16_t yy_base[56] = { 0, 0, 0, 82, 83, 28, 0, 83, 83, 83, 83, 23, 25, 38, 83, 0, 53, 83, 83, 83, 16, 53, 83, 83, 83, 83, 50, 83, 83, 0, 67, 62, 42, 47, 83, 42, 83, 83, 61, 30, 0, 52, 83, 0, 47, 83, 83, 83, 53, 64, 58, 56, 55, 83, 77, 42 } ; static yyconst flex_int16_t yy_def[56] = { 0, 53, 1, 53, 53, 53, 54, 53, 53, 53, 53, 53, 53, 53, 53, 55, 55, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 54, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 13, 53, 53, 55, 53, 53, 53, 53, 53, 53, 53, 53, 53, 0, 53, 53 } ; static yyconst flex_int16_t yy_nxt[113] = { 0, 4, 5, 6, 7, 8, 9, 10, 11, 12, 4, 4, 13, 14, 4, 15, 15, 16, 17, 18, 19, 20, 21, 4, 22, 23, 4, 24, 4, 25, 26, 30, 49, 27, 32, 31, 28, 33, 44, 34, 35, 45, 50, 46, 35, 42, 36, 37, 38, 39, 40, 32, 26, 39, 41, 27, 34, 38, 28, 33, 51, 51, 41, 41, 52, 48, 49, 52, 52, 41, 50, 41, 47, 48, 31, 30, 50, 41, 29, 47, 29, 43, 53, 3, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53 } ; static yyconst flex_int16_t yy_chk[113] = { 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 5, 11, 39, 5, 12, 11, 5, 12, 20, 12, 13, 20, 39, 20, 35, 55, 13, 13, 13, 13, 13, 32, 26, 35, 13, 26, 32, 33, 26, 33, 41, 41, 13, 33, 41, 48, 49, 52, 51, 48, 50, 33, 44, 38, 31, 30, 49, 48, 54, 21, 54, 16, 3, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53 } ; /* The intent behind this definition is that it'll catch * any uses of REJECT which flex missed. */ #define REJECT reject_used_but_not_detected #define yymore() yymore_used_but_not_detected #define YY_MORE_ADJ 0 #define YY_RESTORE_YY_MORE_OFFSET #line 1 "chemeq.l" /* -*- coding: utf-8 -*- */ #include #include "chemeq.h" char * ind; int position = 0; /* les nombres */ /* la flèche */ #line 464 "chemlex.cc" #define INITIAL 0 #ifndef YY_NO_UNISTD_H /* Special case for "unistd.h", since it is non-ANSI. We include it way * down here because we want the user's section 1 to have been scanned first. * The user has a chance to override it with an option. */ #include #endif #ifndef YY_EXTRA_TYPE #define YY_EXTRA_TYPE void * #endif #ifndef yytext_ptr static void yy_flex_strncpy (char *,yyconst char *,int ); #endif #ifdef YY_NEED_STRLEN static int yy_flex_strlen (yyconst char * ); #endif #ifndef YY_NO_INPUT #endif /* Amount of stuff to slurp up with each read. */ #ifndef YY_READ_BUF_SIZE #ifdef __ia64__ /* On IA-64, the buffer size is 16k, not 8k */ #define YY_READ_BUF_SIZE 16384 #else #define YY_READ_BUF_SIZE 8192 #endif /* __ia64__ */ #endif /* Copy whatever the last rule matched to the standard output. */ #ifndef ECHO #define ECHO LexerOutput( yytext, yyleng ) #endif /* Gets input and stuffs it into "buf". number of characters read, or YY_NULL, * is returned in "result". */ #ifndef YY_INPUT #define YY_INPUT(buf,result,max_size) \ \ if ( (result = LexerInput( (char *) buf, max_size )) < 0 ) \ YY_FATAL_ERROR( "input in flex scanner failed" ); #endif /* No semi-colon after return; correct usage is to write "yyterminate();" - * we don't want an extra ';' after the "return" because that will cause * some compilers to complain about unreachable statements. */ #ifndef yyterminate #define yyterminate() return YY_NULL #endif /* Number of entries by which start-condition stack grows. */ #ifndef YY_START_STACK_INCR #define YY_START_STACK_INCR 25 #endif /* Report a fatal error. */ #ifndef YY_FATAL_ERROR #define YY_FATAL_ERROR(msg) LexerError( msg ) #endif /* end tables serialization structures and prototypes */ /* Default declaration of generated scanner - a define so the user can * easily add parameters. */ #ifndef YY_DECL #define YY_DECL_IS_OURS 1 #define YY_DECL int yyFlexLexer::yylex() #endif /* !YY_DECL */ /* Code executed at the beginning of each rule, after yytext and yyleng * have been set up. */ #ifndef YY_USER_ACTION #define YY_USER_ACTION #endif /* Code executed at the end of each rule. */ #ifndef YY_BREAK #define YY_BREAK break; #endif #define YY_RULE_SETUP \ YY_USER_ACTION /** The main scanner function which does all the work. */ YY_DECL { register yy_state_type yy_current_state; register char *yy_cp, *yy_bp; register int yy_act; #line 25 "chemeq.l" /* les règles */ /* pour les atomes */ #line 574 "chemlex.cc" if ( !(yy_init) ) { (yy_init) = 1; #ifdef YY_USER_INIT YY_USER_INIT; #endif if ( ! (yy_start) ) (yy_start) = 1; /* first start state */ if ( ! yyin ) yyin = & std::cin; if ( ! yyout ) yyout = & std::cout; if ( ! YY_CURRENT_BUFFER ) { yyensure_buffer_stack (); YY_CURRENT_BUFFER_LVALUE = yy_create_buffer( yyin, YY_BUF_SIZE ); } yy_load_buffer_state( ); } while ( 1 ) /* loops until end-of-file is reached */ { yy_cp = (yy_c_buf_p); /* Support of yytext. */ *yy_cp = (yy_hold_char); /* yy_bp points to the position in yy_ch_buf of the start of * the current run. */ yy_bp = yy_cp; yy_current_state = (yy_start); yy_match: do { register YY_CHAR yy_c = yy_ec[YY_SC_TO_UI(*yy_cp)]; if ( yy_accept[yy_current_state] ) { (yy_last_accepting_state) = yy_current_state; (yy_last_accepting_cpos) = yy_cp; } while ( yy_chk[yy_base[yy_current_state] + yy_c] != yy_current_state ) { yy_current_state = (int) yy_def[yy_current_state]; if ( yy_current_state >= 54 ) yy_c = yy_meta[(unsigned int) yy_c]; } yy_current_state = yy_nxt[yy_base[yy_current_state] + (unsigned int) yy_c]; ++yy_cp; } while ( yy_base[yy_current_state] != 83 ); yy_find_action: yy_act = yy_accept[yy_current_state]; if ( yy_act == 0 ) { /* have to back up */ yy_cp = (yy_last_accepting_cpos); yy_current_state = (yy_last_accepting_state); yy_act = yy_accept[yy_current_state]; } YY_DO_BEFORE_ACTION; do_action: /* This label is used only to access EOF actions. */ switch ( yy_act ) { /* beginning of action switch */ case 0: /* must back up */ /* undo the effects of YY_DO_BEFORE_ACTION */ *yy_cp = (yy_hold_char); yy_cp = (yy_last_accepting_cpos); yy_current_state = (yy_last_accepting_state); goto yy_find_action; case 1: YY_RULE_SETUP #line 29 "chemeq.l" { /* éléments Uux : transuraniens après le N 109 les autres sont les éléments ordinaires */ int i = 0; position += strlen(yytext); while (lesatomes[i].Zed != 0 && strcmp(yytext, lesatomes[i].symb)) i++; if (lesatomes[i].Zed == 0){ yylval.i=-2; /* -2 est le n° pour les éléments non définis */ strncpy(yylval.symb, yytext,3); } else { yylval.i=i; strcpy(yylval.symb, lesatomes[i].symb); } yylval.s = yytext; return Atome; } YY_BREAK case 2: YY_RULE_SETUP #line 46 "chemeq.l" {position++; yylval.i=-1; strcpy(yylval.symb, "e");return Atome;} YY_BREAK case 3: YY_RULE_SETUP #line 49 "chemeq.l" { position++; return Lpar;} YY_BREAK case 4: YY_RULE_SETUP #line 50 "chemeq.l" { position++; return Rpar;} YY_BREAK case 5: YY_RULE_SETUP #line 52 "chemeq.l" { position += strlen(yytext); return SpcLpar;} YY_BREAK case 6: YY_RULE_SETUP #line 53 "chemeq.l" { position ++; return Lsq;} YY_BREAK case 7: YY_RULE_SETUP #line 54 "chemeq.l" { position ++; return Rsq;} YY_BREAK case 8: YY_RULE_SETUP #line 55 "chemeq.l" { position += strlen(yytext); yylval.i = atoi(yytext); return Int; } YY_BREAK case 9: YY_RULE_SETUP #line 56 "chemeq.l" { position += strlen(yytext); yylval.r = atof(yytext); return Real;} YY_BREAK case 10: YY_RULE_SETUP #line 57 "chemeq.l" { position += strlen(yytext); ind = index(yytext,'/'); *ind=0; yylval.i = atoi(yytext); yylval.d = atoi(ind+1); return Frac; } YY_BREAK case 11: YY_RULE_SETUP #line 61 "chemeq.l" { position += strlen(yytext); yylval.i = atoi(yytext+1); return Charge; } YY_BREAK case 12: YY_RULE_SETUP #line 64 "chemeq.l" { position += strlen(yytext); yylval.i = strlen(yytext); return Charge; } YY_BREAK case 13: YY_RULE_SETUP #line 67 "chemeq.l" { position += strlen(yytext); yylval.i = -strlen(yytext); return Charge; } YY_BREAK case 14: YY_RULE_SETUP #line 70 "chemeq.l" { position += strlen(yytext); yytext[strlen(yytext)]=0; yylval.i = atoi(yytext); return Charge; } YY_BREAK case 15: YY_RULE_SETUP #line 73 "chemeq.l" { position += strlen(yytext); yytext[strlen(yytext)]=0; yylval.i = -atoi(yytext); return Charge; } YY_BREAK case 16: YY_RULE_SETUP #line 76 "chemeq.l" {position += strlen(yytext); return SpcPlus;} YY_BREAK case 17: YY_RULE_SETUP #line 77 "chemeq.l" {position += strlen(yytext); return Moins;} YY_BREAK case 18: YY_RULE_SETUP #line 78 "chemeq.l" {position ++; return Plus;} YY_BREAK case 19: YY_RULE_SETUP #line 79 "chemeq.l" {position ++; return Mul;} YY_BREAK case 20: YY_RULE_SETUP #line 80 "chemeq.l" {position += strlen(yytext); return Fleche;} YY_BREAK case 21: YY_RULE_SETUP #line 81 "chemeq.l" {position += strlen(yytext); return Spc;} YY_BREAK case 22: YY_RULE_SETUP #line 82 "chemeq.l" {position ++; return Haut;} YY_BREAK case 23: YY_RULE_SETUP #line 83 "chemeq.l" {position += strlen(yytext); return Sol;} YY_BREAK case 24: YY_RULE_SETUP #line 84 "chemeq.l" {position += strlen(yytext); return Gas;} YY_BREAK case 25: YY_RULE_SETUP #line 85 "chemeq.l" {position += strlen(yytext); return Aqueous;} YY_BREAK case 26: YY_RULE_SETUP #line 86 "chemeq.l" {position ++; return Egal;} YY_BREAK case 27: YY_RULE_SETUP #line 87 "chemeq.l" {position ++; return Compose;} YY_BREAK case 28: YY_RULE_SETUP #line 88 "chemeq.l" {position+=2; return AntiCompose;} YY_BREAK case 29: /* rule 29 can match eol */ YY_RULE_SETUP #line 89 "chemeq.l" {/* rien c'est la fin des entrées */} YY_BREAK case 30: /* rule 30 can match eol */ YY_RULE_SETUP #line 90 "chemeq.l" {position += strlen(yytext); /* rien */} YY_BREAK case 31: YY_RULE_SETUP #line 91 "chemeq.l" ECHO; YY_BREAK #line 842 "chemlex.cc" case YY_STATE_EOF(INITIAL): yyterminate(); case YY_END_OF_BUFFER: { /* Amount of text matched not including the EOB char. */ int yy_amount_of_matched_text = (int) (yy_cp - (yytext_ptr)) - 1; /* Undo the effects of YY_DO_BEFORE_ACTION. */ *yy_cp = (yy_hold_char); YY_RESTORE_YY_MORE_OFFSET if ( YY_CURRENT_BUFFER_LVALUE->yy_buffer_status == YY_BUFFER_NEW ) { /* We're scanning a new file or input source. It's * possible that this happened because the user * just pointed yyin at a new source and called * yylex(). If so, then we have to assure * consistency between YY_CURRENT_BUFFER and our * globals. Here is the right place to do so, because * this is the first action (other than possibly a * back-up) that will match for the new input source. */ (yy_n_chars) = YY_CURRENT_BUFFER_LVALUE->yy_n_chars; YY_CURRENT_BUFFER_LVALUE->yy_input_file = yyin; YY_CURRENT_BUFFER_LVALUE->yy_buffer_status = YY_BUFFER_NORMAL; } /* Note that here we test for yy_c_buf_p "<=" to the position * of the first EOB in the buffer, since yy_c_buf_p will * already have been incremented past the NUL character * (since all states make transitions on EOB to the * end-of-buffer state). Contrast this with the test * in input(). */ if ( (yy_c_buf_p) <= &YY_CURRENT_BUFFER_LVALUE->yy_ch_buf[(yy_n_chars)] ) { /* This was really a NUL. */ yy_state_type yy_next_state; (yy_c_buf_p) = (yytext_ptr) + yy_amount_of_matched_text; yy_current_state = yy_get_previous_state( ); /* Okay, we're now positioned to make the NUL * transition. We couldn't have * yy_get_previous_state() go ahead and do it * for us because it doesn't know how to deal * with the possibility of jamming (and we don't * want to build jamming into it because then it * will run more slowly). */ yy_next_state = yy_try_NUL_trans( yy_current_state ); yy_bp = (yytext_ptr) + YY_MORE_ADJ; if ( yy_next_state ) { /* Consume the NUL. */ yy_cp = ++(yy_c_buf_p); yy_current_state = yy_next_state; goto yy_match; } else { yy_cp = (yy_c_buf_p); goto yy_find_action; } } else switch ( yy_get_next_buffer( ) ) { case EOB_ACT_END_OF_FILE: { (yy_did_buffer_switch_on_eof) = 0; if ( yywrap( ) ) { /* Note: because we've taken care in * yy_get_next_buffer() to have set up * yytext, we can now set up * yy_c_buf_p so that if some total * hoser (like flex itself) wants to * call the scanner after we return the * YY_NULL, it'll still work - another * YY_NULL will get returned. */ (yy_c_buf_p) = (yytext_ptr) + YY_MORE_ADJ; yy_act = YY_STATE_EOF(YY_START); goto do_action; } else { if ( ! (yy_did_buffer_switch_on_eof) ) YY_NEW_FILE; } break; } case EOB_ACT_CONTINUE_SCAN: (yy_c_buf_p) = (yytext_ptr) + yy_amount_of_matched_text; yy_current_state = yy_get_previous_state( ); yy_cp = (yy_c_buf_p); yy_bp = (yytext_ptr) + YY_MORE_ADJ; goto yy_match; case EOB_ACT_LAST_MATCH: (yy_c_buf_p) = &YY_CURRENT_BUFFER_LVALUE->yy_ch_buf[(yy_n_chars)]; yy_current_state = yy_get_previous_state( ); yy_cp = (yy_c_buf_p); yy_bp = (yytext_ptr) + YY_MORE_ADJ; goto yy_find_action; } break; } default: YY_FATAL_ERROR( "fatal flex scanner internal error--no action found" ); } /* end of action switch */ } /* end of scanning one token */ } /* end of yylex */ /* The contents of this function are C++ specific, so the () macro is not used. */ yyFlexLexer::yyFlexLexer( std::istream* arg_yyin, std::ostream* arg_yyout ) { yyin = arg_yyin; yyout = arg_yyout; yy_c_buf_p = 0; yy_init = 0; yy_start = 0; yy_flex_debug = 0; yylineno = 1; // this will only get updated if %option yylineno yy_did_buffer_switch_on_eof = 0; yy_looking_for_trail_begin = 0; yy_more_flag = 0; yy_more_len = 0; yy_more_offset = yy_prev_more_offset = 0; yy_start_stack_ptr = yy_start_stack_depth = 0; yy_start_stack = NULL; yy_buffer_stack = 0; yy_buffer_stack_top = 0; yy_buffer_stack_max = 0; yy_state_buf = 0; } /* The contents of this function are C++ specific, so the () macro is not used. */ yyFlexLexer::~yyFlexLexer() { delete [] yy_state_buf; yyfree(yy_start_stack ); yy_delete_buffer( YY_CURRENT_BUFFER ); yyfree(yy_buffer_stack ); } /* The contents of this function are C++ specific, so the () macro is not used. */ void yyFlexLexer::switch_streams( std::istream* new_in, std::ostream* new_out ) { if ( new_in ) { yy_delete_buffer( YY_CURRENT_BUFFER ); yy_switch_to_buffer( yy_create_buffer( new_in, YY_BUF_SIZE ) ); } if ( new_out ) yyout = new_out; } #ifdef YY_INTERACTIVE int yyFlexLexer::LexerInput( char* buf, int /* max_size */ ) #else int yyFlexLexer::LexerInput( char* buf, int max_size ) #endif { if ( yyin->eof() || yyin->fail() ) return 0; #ifdef YY_INTERACTIVE yyin->get( buf[0] ); if ( yyin->eof() ) return 0; if ( yyin->bad() ) return -1; return 1; #else (void) yyin->read( buf, max_size ); if ( yyin->bad() ) return -1; else return yyin->gcount(); #endif } void yyFlexLexer::LexerOutput( const char* buf, int size ) { (void) yyout->write( buf, size ); } /* yy_get_next_buffer - try to read in a new buffer * * Returns a code representing an action: * EOB_ACT_LAST_MATCH - * EOB_ACT_CONTINUE_SCAN - continue scanning from current position * EOB_ACT_END_OF_FILE - end of file */ int yyFlexLexer::yy_get_next_buffer() { register char *dest = YY_CURRENT_BUFFER_LVALUE->yy_ch_buf; register char *source = (yytext_ptr); register int number_to_move, i; int ret_val; if ( (yy_c_buf_p) > &YY_CURRENT_BUFFER_LVALUE->yy_ch_buf[(yy_n_chars) + 1] ) YY_FATAL_ERROR( "fatal flex scanner internal error--end of buffer missed" ); if ( YY_CURRENT_BUFFER_LVALUE->yy_fill_buffer == 0 ) { /* Don't try to fill the buffer, so this is an EOF. */ if ( (yy_c_buf_p) - (yytext_ptr) - YY_MORE_ADJ == 1 ) { /* We matched a single character, the EOB, so * treat this as a final EOF. */ return EOB_ACT_END_OF_FILE; } else { /* We matched some text prior to the EOB, first * process it. */ return EOB_ACT_LAST_MATCH; } } /* Try to read more data. */ /* First move last chars to start of buffer. */ number_to_move = (int) ((yy_c_buf_p) - (yytext_ptr)) - 1; for ( i = 0; i < number_to_move; ++i ) *(dest++) = *(source++); if ( YY_CURRENT_BUFFER_LVALUE->yy_buffer_status == YY_BUFFER_EOF_PENDING ) /* don't do the read, it's not guaranteed to return an EOF, * just force an EOF */ YY_CURRENT_BUFFER_LVALUE->yy_n_chars = (yy_n_chars) = 0; else { int num_to_read = YY_CURRENT_BUFFER_LVALUE->yy_buf_size - number_to_move - 1; while ( num_to_read <= 0 ) { /* Not enough room in the buffer - grow it. */ /* just a shorter name for the current buffer */ YY_BUFFER_STATE b = YY_CURRENT_BUFFER; int yy_c_buf_p_offset = (int) ((yy_c_buf_p) - b->yy_ch_buf); if ( b->yy_is_our_buffer ) { int new_size = b->yy_buf_size * 2; if ( new_size <= 0 ) b->yy_buf_size += b->yy_buf_size / 8; else b->yy_buf_size *= 2; b->yy_ch_buf = (char *) /* Include room in for 2 EOB chars. */ yyrealloc((void *) b->yy_ch_buf,b->yy_buf_size + 2 ); } else /* Can't grow it, we don't own it. */ b->yy_ch_buf = 0; if ( ! b->yy_ch_buf ) YY_FATAL_ERROR( "fatal error - scanner input buffer overflow" ); (yy_c_buf_p) = &b->yy_ch_buf[yy_c_buf_p_offset]; num_to_read = YY_CURRENT_BUFFER_LVALUE->yy_buf_size - number_to_move - 1; } if ( num_to_read > YY_READ_BUF_SIZE ) num_to_read = YY_READ_BUF_SIZE; /* Read in more data. */ YY_INPUT( (&YY_CURRENT_BUFFER_LVALUE->yy_ch_buf[number_to_move]), (yy_n_chars), (size_t) num_to_read ); YY_CURRENT_BUFFER_LVALUE->yy_n_chars = (yy_n_chars); } if ( (yy_n_chars) == 0 ) { if ( number_to_move == YY_MORE_ADJ ) { ret_val = EOB_ACT_END_OF_FILE; yyrestart( yyin ); } else { ret_val = EOB_ACT_LAST_MATCH; YY_CURRENT_BUFFER_LVALUE->yy_buffer_status = YY_BUFFER_EOF_PENDING; } } else ret_val = EOB_ACT_CONTINUE_SCAN; if ((yy_size_t) ((yy_n_chars) + number_to_move) > YY_CURRENT_BUFFER_LVALUE->yy_buf_size) { /* Extend the array by 50%, plus the number we really need. */ yy_size_t new_size = (yy_n_chars) + number_to_move + ((yy_n_chars) >> 1); YY_CURRENT_BUFFER_LVALUE->yy_ch_buf = (char *) yyrealloc((void *) YY_CURRENT_BUFFER_LVALUE->yy_ch_buf,new_size ); if ( ! YY_CURRENT_BUFFER_LVALUE->yy_ch_buf ) YY_FATAL_ERROR( "out of dynamic memory in yy_get_next_buffer()" ); } (yy_n_chars) += number_to_move; YY_CURRENT_BUFFER_LVALUE->yy_ch_buf[(yy_n_chars)] = YY_END_OF_BUFFER_CHAR; YY_CURRENT_BUFFER_LVALUE->yy_ch_buf[(yy_n_chars) + 1] = YY_END_OF_BUFFER_CHAR; (yytext_ptr) = &YY_CURRENT_BUFFER_LVALUE->yy_ch_buf[0]; return ret_val; } /* yy_get_previous_state - get the state just before the EOB char was reached */ yy_state_type yyFlexLexer::yy_get_previous_state() { register yy_state_type yy_current_state; register char *yy_cp; yy_current_state = (yy_start); for ( yy_cp = (yytext_ptr) + YY_MORE_ADJ; yy_cp < (yy_c_buf_p); ++yy_cp ) { register YY_CHAR yy_c = (*yy_cp ? yy_ec[YY_SC_TO_UI(*yy_cp)] : 1); if ( yy_accept[yy_current_state] ) { (yy_last_accepting_state) = yy_current_state; (yy_last_accepting_cpos) = yy_cp; } while ( yy_chk[yy_base[yy_current_state] + yy_c] != yy_current_state ) { yy_current_state = (int) yy_def[yy_current_state]; if ( yy_current_state >= 54 ) yy_c = yy_meta[(unsigned int) yy_c]; } yy_current_state = yy_nxt[yy_base[yy_current_state] + (unsigned int) yy_c]; } return yy_current_state; } /* yy_try_NUL_trans - try to make a transition on the NUL character * * synopsis * next_state = yy_try_NUL_trans( current_state ); */ yy_state_type yyFlexLexer::yy_try_NUL_trans( yy_state_type yy_current_state ) { register int yy_is_jam; register char *yy_cp = (yy_c_buf_p); register YY_CHAR yy_c = 1; if ( yy_accept[yy_current_state] ) { (yy_last_accepting_state) = yy_current_state; (yy_last_accepting_cpos) = yy_cp; } while ( yy_chk[yy_base[yy_current_state] + yy_c] != yy_current_state ) { yy_current_state = (int) yy_def[yy_current_state]; if ( yy_current_state >= 54 ) yy_c = yy_meta[(unsigned int) yy_c]; } yy_current_state = yy_nxt[yy_base[yy_current_state] + (unsigned int) yy_c]; yy_is_jam = (yy_current_state == 53); return yy_is_jam ? 0 : yy_current_state; } void yyFlexLexer::yyunput( int c, register char* yy_bp) { register char *yy_cp; yy_cp = (yy_c_buf_p); /* undo effects of setting up yytext */ *yy_cp = (yy_hold_char); if ( yy_cp < YY_CURRENT_BUFFER_LVALUE->yy_ch_buf + 2 ) { /* need to shift things up to make room */ /* +2 for EOB chars. */ register int number_to_move = (yy_n_chars) + 2; register char *dest = &YY_CURRENT_BUFFER_LVALUE->yy_ch_buf[ YY_CURRENT_BUFFER_LVALUE->yy_buf_size + 2]; register char *source = &YY_CURRENT_BUFFER_LVALUE->yy_ch_buf[number_to_move]; while ( source > YY_CURRENT_BUFFER_LVALUE->yy_ch_buf ) *--dest = *--source; yy_cp += (int) (dest - source); yy_bp += (int) (dest - source); YY_CURRENT_BUFFER_LVALUE->yy_n_chars = (yy_n_chars) = YY_CURRENT_BUFFER_LVALUE->yy_buf_size; if ( yy_cp < YY_CURRENT_BUFFER_LVALUE->yy_ch_buf + 2 ) YY_FATAL_ERROR( "flex scanner push-back overflow" ); } *--yy_cp = (char) c; (yytext_ptr) = yy_bp; (yy_hold_char) = *yy_cp; (yy_c_buf_p) = yy_cp; } int yyFlexLexer::yyinput() { int c; *(yy_c_buf_p) = (yy_hold_char); if ( *(yy_c_buf_p) == YY_END_OF_BUFFER_CHAR ) { /* yy_c_buf_p now points to the character we want to return. * If this occurs *before* the EOB characters, then it's a * valid NUL; if not, then we've hit the end of the buffer. */ if ( (yy_c_buf_p) < &YY_CURRENT_BUFFER_LVALUE->yy_ch_buf[(yy_n_chars)] ) /* This was really a NUL. */ *(yy_c_buf_p) = '\0'; else { /* need more input */ int offset = (yy_c_buf_p) - (yytext_ptr); ++(yy_c_buf_p); switch ( yy_get_next_buffer( ) ) { case EOB_ACT_LAST_MATCH: /* This happens because yy_g_n_b() * sees that we've accumulated a * token and flags that we need to * try matching the token before * proceeding. But for input(), * there's no matching to consider. * So convert the EOB_ACT_LAST_MATCH * to EOB_ACT_END_OF_FILE. */ /* Reset buffer status. */ yyrestart( yyin ); /*FALLTHROUGH*/ case EOB_ACT_END_OF_FILE: { if ( yywrap( ) ) return EOF; if ( ! (yy_did_buffer_switch_on_eof) ) YY_NEW_FILE; #ifdef __cplusplus return yyinput(); #else return input(); #endif } case EOB_ACT_CONTINUE_SCAN: (yy_c_buf_p) = (yytext_ptr) + offset; break; } } } c = *(unsigned char *) (yy_c_buf_p); /* cast for 8-bit char's */ *(yy_c_buf_p) = '\0'; /* preserve yytext */ (yy_hold_char) = *++(yy_c_buf_p); return c; } /** Immediately switch to a different input stream. * @param input_file A readable stream. * * @note This function does not reset the start condition to @c INITIAL . */ void yyFlexLexer::yyrestart( std::istream* input_file ) { if ( ! YY_CURRENT_BUFFER ){ yyensure_buffer_stack (); YY_CURRENT_BUFFER_LVALUE = yy_create_buffer( yyin, YY_BUF_SIZE ); } yy_init_buffer( YY_CURRENT_BUFFER, input_file ); yy_load_buffer_state( ); } /** Switch to a different input buffer. * @param new_buffer The new input buffer. * */ void yyFlexLexer::yy_switch_to_buffer( YY_BUFFER_STATE new_buffer ) { /* TODO. We should be able to replace this entire function body * with * yypop_buffer_state(); * yypush_buffer_state(new_buffer); */ yyensure_buffer_stack (); if ( YY_CURRENT_BUFFER == new_buffer ) return; if ( YY_CURRENT_BUFFER ) { /* Flush out information for old buffer. */ *(yy_c_buf_p) = (yy_hold_char); YY_CURRENT_BUFFER_LVALUE->yy_buf_pos = (yy_c_buf_p); YY_CURRENT_BUFFER_LVALUE->yy_n_chars = (yy_n_chars); } YY_CURRENT_BUFFER_LVALUE = new_buffer; yy_load_buffer_state( ); /* We don't actually know whether we did this switch during * EOF (yywrap()) processing, but the only time this flag * is looked at is after yywrap() is called, so it's safe * to go ahead and always set it. */ (yy_did_buffer_switch_on_eof) = 1; } void yyFlexLexer::yy_load_buffer_state() { (yy_n_chars) = YY_CURRENT_BUFFER_LVALUE->yy_n_chars; (yytext_ptr) = (yy_c_buf_p) = YY_CURRENT_BUFFER_LVALUE->yy_buf_pos; yyin = YY_CURRENT_BUFFER_LVALUE->yy_input_file; (yy_hold_char) = *(yy_c_buf_p); } /** Allocate and initialize an input buffer state. * @param file A readable stream. * @param size The character buffer size in bytes. When in doubt, use @c YY_BUF_SIZE. * * @return the allocated buffer state. */ YY_BUFFER_STATE yyFlexLexer::yy_create_buffer( std::istream* file, int size ) { YY_BUFFER_STATE b; b = (YY_BUFFER_STATE) yyalloc(sizeof( struct yy_buffer_state ) ); if ( ! b ) YY_FATAL_ERROR( "out of dynamic memory in yy_create_buffer()" ); b->yy_buf_size = size; /* yy_ch_buf has to be 2 characters longer than the size given because * we need to put in 2 end-of-buffer characters. */ b->yy_ch_buf = (char *) yyalloc(b->yy_buf_size + 2 ); if ( ! b->yy_ch_buf ) YY_FATAL_ERROR( "out of dynamic memory in yy_create_buffer()" ); b->yy_is_our_buffer = 1; yy_init_buffer( b, file ); return b; } /** Destroy the buffer. * @param b a buffer created with yy_create_buffer() * */ void yyFlexLexer::yy_delete_buffer( YY_BUFFER_STATE b ) { if ( ! b ) return; if ( b == YY_CURRENT_BUFFER ) /* Not sure if we should pop here. */ YY_CURRENT_BUFFER_LVALUE = (YY_BUFFER_STATE) 0; if ( b->yy_is_our_buffer ) yyfree((void *) b->yy_ch_buf ); yyfree((void *) b ); } extern "C" int isatty (int ); /* Initializes or reinitializes a buffer. * This function is sometimes called more than once on the same buffer, * such as during a yyrestart() or at EOF. */ void yyFlexLexer::yy_init_buffer( YY_BUFFER_STATE b, std::istream* file ) { int oerrno = errno; yy_flush_buffer( b ); b->yy_input_file = file; b->yy_fill_buffer = 1; /* If b is the current buffer, then yy_init_buffer was _probably_ * called from yyrestart() or through yy_get_next_buffer. * In that case, we don't want to reset the lineno or column. */ if (b != YY_CURRENT_BUFFER){ b->yy_bs_lineno = 1; b->yy_bs_column = 0; } b->yy_is_interactive = 0; errno = oerrno; } /** Discard all buffered characters. On the next scan, YY_INPUT will be called. * @param b the buffer state to be flushed, usually @c YY_CURRENT_BUFFER. * */ void yyFlexLexer::yy_flush_buffer( YY_BUFFER_STATE b ) { if ( ! b ) return; b->yy_n_chars = 0; /* We always need two end-of-buffer characters. The first causes * a transition to the end-of-buffer state. The second causes * a jam in that state. */ b->yy_ch_buf[0] = YY_END_OF_BUFFER_CHAR; b->yy_ch_buf[1] = YY_END_OF_BUFFER_CHAR; b->yy_buf_pos = &b->yy_ch_buf[0]; b->yy_at_bol = 1; b->yy_buffer_status = YY_BUFFER_NEW; if ( b == YY_CURRENT_BUFFER ) yy_load_buffer_state( ); } /** Pushes the new state onto the stack. The new state becomes * the current state. This function will allocate the stack * if necessary. * @param new_buffer The new state. * */ void yyFlexLexer::yypush_buffer_state (YY_BUFFER_STATE new_buffer) { if (new_buffer == NULL) return; yyensure_buffer_stack(); /* This block is copied from yy_switch_to_buffer. */ if ( YY_CURRENT_BUFFER ) { /* Flush out information for old buffer. */ *(yy_c_buf_p) = (yy_hold_char); YY_CURRENT_BUFFER_LVALUE->yy_buf_pos = (yy_c_buf_p); YY_CURRENT_BUFFER_LVALUE->yy_n_chars = (yy_n_chars); } /* Only push if top exists. Otherwise, replace top. */ if (YY_CURRENT_BUFFER) (yy_buffer_stack_top)++; YY_CURRENT_BUFFER_LVALUE = new_buffer; /* copied from yy_switch_to_buffer. */ yy_load_buffer_state( ); (yy_did_buffer_switch_on_eof) = 1; } /** Removes and deletes the top of the stack, if present. * The next element becomes the new top. * */ void yyFlexLexer::yypop_buffer_state (void) { if (!YY_CURRENT_BUFFER) return; yy_delete_buffer(YY_CURRENT_BUFFER ); YY_CURRENT_BUFFER_LVALUE = NULL; if ((yy_buffer_stack_top) > 0) --(yy_buffer_stack_top); if (YY_CURRENT_BUFFER) { yy_load_buffer_state( ); (yy_did_buffer_switch_on_eof) = 1; } } /* Allocates the stack if it does not exist. * Guarantees space for at least one push. */ void yyFlexLexer::yyensure_buffer_stack(void) { int num_to_alloc; if (!(yy_buffer_stack)) { /* First allocation is just for 2 elements, since we don't know if this * scanner will even need a stack. We use 2 instead of 1 to avoid an * immediate realloc on the next call. */ num_to_alloc = 1; (yy_buffer_stack) = (struct yy_buffer_state**)yyalloc (num_to_alloc * sizeof(struct yy_buffer_state*) ); if ( ! (yy_buffer_stack) ) YY_FATAL_ERROR( "out of dynamic memory in yyensure_buffer_stack()" ); memset((yy_buffer_stack), 0, num_to_alloc * sizeof(struct yy_buffer_state*)); (yy_buffer_stack_max) = num_to_alloc; (yy_buffer_stack_top) = 0; return; } if ((yy_buffer_stack_top) >= ((yy_buffer_stack_max)) - 1){ /* Increase the buffer to prepare for a possible push. */ int grow_size = 8 /* arbitrary grow size */; num_to_alloc = (yy_buffer_stack_max) + grow_size; (yy_buffer_stack) = (struct yy_buffer_state**)yyrealloc ((yy_buffer_stack), num_to_alloc * sizeof(struct yy_buffer_state*) ); if ( ! (yy_buffer_stack) ) YY_FATAL_ERROR( "out of dynamic memory in yyensure_buffer_stack()" ); /* zero only the new slots.*/ memset((yy_buffer_stack) + (yy_buffer_stack_max), 0, grow_size * sizeof(struct yy_buffer_state*)); (yy_buffer_stack_max) = num_to_alloc; } } void yyFlexLexer::yy_push_state( int new_state ) { if ( (yy_start_stack_ptr) >= (yy_start_stack_depth) ) { yy_size_t new_size; (yy_start_stack_depth) += YY_START_STACK_INCR; new_size = (yy_start_stack_depth) * sizeof( int ); if ( ! (yy_start_stack) ) (yy_start_stack) = (int *) yyalloc(new_size ); else (yy_start_stack) = (int *) yyrealloc((void *) (yy_start_stack),new_size ); if ( ! (yy_start_stack) ) YY_FATAL_ERROR( "out of memory expanding start-condition stack" ); } (yy_start_stack)[(yy_start_stack_ptr)++] = YY_START; BEGIN(new_state); } void yyFlexLexer::yy_pop_state() { if ( --(yy_start_stack_ptr) < 0 ) YY_FATAL_ERROR( "start-condition stack underflow" ); BEGIN((yy_start_stack)[(yy_start_stack_ptr)]); } int yyFlexLexer::yy_top_state() { return (yy_start_stack)[(yy_start_stack_ptr) - 1]; } #ifndef YY_EXIT_FAILURE #define YY_EXIT_FAILURE 2 #endif void yyFlexLexer::LexerError( yyconst char msg[] ) { std::cerr << msg << std::endl; exit( YY_EXIT_FAILURE ); } /* Redefine yyless() so it works in section 3 code. */ #undef yyless #define yyless(n) \ do \ { \ /* Undo effects of setting up yytext. */ \ int yyless_macro_arg = (n); \ YY_LESS_LINENO(yyless_macro_arg);\ yytext[yyleng] = (yy_hold_char); \ (yy_c_buf_p) = yytext + yyless_macro_arg; \ (yy_hold_char) = *(yy_c_buf_p); \ *(yy_c_buf_p) = '\0'; \ yyleng = yyless_macro_arg; \ } \ while ( 0 ) /* Accessor methods (get/set functions) to struct members. */ /* * Internal utility routines. */ #ifndef yytext_ptr static void yy_flex_strncpy (char* s1, yyconst char * s2, int n ) { register int i; for ( i = 0; i < n; ++i ) s1[i] = s2[i]; } #endif #ifdef YY_NEED_STRLEN static int yy_flex_strlen (yyconst char * s ) { register int n; for ( n = 0; s[n]; ++n ) ; return n; } #endif void *yyalloc (yy_size_t size ) { return (void *) malloc( size ); } void *yyrealloc (void * ptr, yy_size_t size ) { /* The cast to (char *) in the following accommodates both * implementations that use char* generic pointers, and those * that use void* generic pointers. It works with the latter * because both ANSI C and C++ allow castless assignment from * any pointer type to void*, and deal with argument conversions * as though doing an assignment. */ return (void *) realloc( (char *) ptr, size ); } void yyfree (void * ptr ) { free( (char *) ptr ); /* see yyrealloc() for (char *) cast */ } #define YYTABLES_NAME "yytables" #line 91 "chemeq.l" chemeq-2.12.orig/src/chemparser.output0000644000175000017500000005445212244451023020246 0ustar georgeskgeorgeskGrammaire 0 $accept: but $end 1 but: chcompose 2 | molec 3 chcompose: chc 4 | chcompose spc01 Compose spc01 chc 5 | chcompose spc01 AntiCompose spc01 chc 6 chc: chemeq cste 7 | Frac spc01 Mul spc01 chc 8 | Int spc01 Mul spc01 chc 9 cste: /* vide */ 10 | SpcLpar cste1 Rpar 11 cste1: spc01 nombre volt 12 | spc01 id spc01 Egal spc01 nombre volt 13 nombre: Real 14 | Int 15 | Plus spc01 Real 16 | Moins spc01 Real 17 | Plus spc01 Int 18 | Moins spc01 Int 19 volt: /* vide */ 20 | spc01 Atome 21 id: Atome 22 chemeq: membre Spc Fleche spc01 membre 23 membre: membre SpcPlus spc01 molecs 24 | molecs 25 molecs: Int spc01 molec 26 | Frac spc01 molec 27 | molec 28 spc01: /* vide */ 29 | Spc 30 molec: composition0 typage 31 | composition0 charge typage 32 composition0: composition 33 | Lsq spc01 composition spc01 Rsq 34 typage: /* vide */ 35 | Aqueous 36 | Sol 37 | Gas 38 charge: Plus 39 | Haut Plus 40 | Haut Charge 41 | Moins 42 | Haut Moins 43 groupe: Lpar composition Rpar 44 atome_general: groupe 45 | Atome 46 composition: atome_general molecularite composition 47 | atome_general molecularite 48 molecularite: /* vide */ 49 | Int Terminaux, suivis des règles où ils apparaissent $end (0) 0 error (256) Atome (258) 20 21 45 SpcPlus (259) 23 Plus (260) 15 17 38 39 Moins (261) 16 18 41 42 Mul (262) 7 8 Fleche (263) 22 Int (264) 8 14 17 18 25 49 Charge (265) 40 Frac (266) 7 26 Real (267) 13 15 16 SpcLpar (268) 10 Lpar (269) 43 Rpar (270) 10 43 Lsq (271) 33 Rsq (272) 33 Haut (273) 39 40 42 Spc (274) 22 29 Sol (275) 36 Gas (276) 37 Aqueous (277) 35 Egal (278) 12 Compose (279) 4 AntiCompose (280) 5 Non-terminaux, suivis des règles où ils apparaissent $accept (26) à gauche: 0 but (27) à gauche: 1 2, à droite: 0 chcompose (28) à gauche: 3 4 5, à droite: 1 4 5 chc (29) à gauche: 6 7 8, à droite: 3 4 5 7 8 cste (30) à gauche: 9 10, à droite: 6 cste1 (31) à gauche: 11 12, à droite: 10 nombre (32) à gauche: 13 14 15 16 17 18, à droite: 11 12 volt (33) à gauche: 19 20, à droite: 11 12 id (34) à gauche: 21, à droite: 12 chemeq (35) à gauche: 22, à droite: 6 membre (36) à gauche: 23 24, à droite: 22 23 molecs (37) à gauche: 25 26 27, à droite: 23 24 spc01 (38) à gauche: 28 29, à droite: 4 5 7 8 11 12 15 16 17 18 20 22 23 25 26 33 molec (39) à gauche: 30 31, à droite: 2 25 26 27 composition0 (40) à gauche: 32 33, à droite: 30 31 typage (41) à gauche: 34 35 36 37, à droite: 30 31 charge (42) à gauche: 38 39 40 41 42, à droite: 31 groupe (43) à gauche: 43, à droite: 44 atome_general (44) à gauche: 44 45, à droite: 46 47 composition (45) à gauche: 46 47, à droite: 32 33 43 46 molecularite (46) à gauche: 48 49, à droite: 46 47 État 0 0 $accept: . but $end Atome décalage et aller à l'état 1 Int décalage et aller à l'état 2 Frac décalage et aller à l'état 3 Lpar décalage et aller à l'état 4 Lsq décalage et aller à l'état 5 but aller à l'état 6 chcompose aller à l'état 7 chc aller à l'état 8 chemeq aller à l'état 9 membre aller à l'état 10 molecs aller à l'état 11 molec aller à l'état 12 composition0 aller à l'état 13 groupe aller à l'état 14 atome_general aller à l'état 15 composition aller à l'état 16 État 1 45 atome_general: Atome . $défaut réduction par utilisation de la règle 45 (atome_general) État 2 8 chc: Int . spc01 Mul spc01 chc 25 molecs: Int . spc01 molec Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 18 État 3 7 chc: Frac . spc01 Mul spc01 chc 26 molecs: Frac . spc01 molec Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 19 État 4 43 groupe: Lpar . composition Rpar Atome décalage et aller à l'état 1 Lpar décalage et aller à l'état 4 groupe aller à l'état 14 atome_general aller à l'état 15 composition aller à l'état 20 État 5 33 composition0: Lsq . spc01 composition spc01 Rsq Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 21 État 6 0 $accept: but . $end $end décalage et aller à l'état 22 État 7 1 but: chcompose . 4 chcompose: chcompose . spc01 Compose spc01 chc 5 | chcompose . spc01 AntiCompose spc01 chc Spc décalage et aller à l'état 17 $end réduction par utilisation de la règle 1 (but) $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 23 État 8 3 chcompose: chc . $défaut réduction par utilisation de la règle 3 (chcompose) État 9 6 chc: chemeq . cste SpcLpar décalage et aller à l'état 24 $défaut réduction par utilisation de la règle 9 (cste) cste aller à l'état 25 État 10 22 chemeq: membre . Spc Fleche spc01 membre 23 membre: membre . SpcPlus spc01 molecs SpcPlus décalage et aller à l'état 26 Spc décalage et aller à l'état 27 État 11 24 membre: molecs . $défaut réduction par utilisation de la règle 24 (membre) État 12 2 but: molec . 27 molecs: molec . $end réduction par utilisation de la règle 2 (but) $défaut réduction par utilisation de la règle 27 (molecs) État 13 30 molec: composition0 . typage 31 | composition0 . charge typage Plus décalage et aller à l'état 28 Moins décalage et aller à l'état 29 Haut décalage et aller à l'état 30 Sol décalage et aller à l'état 31 Gas décalage et aller à l'état 32 Aqueous décalage et aller à l'état 33 $défaut réduction par utilisation de la règle 34 (typage) typage aller à l'état 34 charge aller à l'état 35 État 14 44 atome_general: groupe . $défaut réduction par utilisation de la règle 44 (atome_general) État 15 46 composition: atome_general . molecularite composition 47 | atome_general . molecularite Int décalage et aller à l'état 36 $défaut réduction par utilisation de la règle 48 (molecularite) molecularite aller à l'état 37 État 16 32 composition0: composition . $défaut réduction par utilisation de la règle 32 (composition0) État 17 29 spc01: Spc . $défaut réduction par utilisation de la règle 29 (spc01) État 18 8 chc: Int spc01 . Mul spc01 chc 25 molecs: Int spc01 . molec Atome décalage et aller à l'état 1 Mul décalage et aller à l'état 38 Lpar décalage et aller à l'état 4 Lsq décalage et aller à l'état 5 molec aller à l'état 39 composition0 aller à l'état 13 groupe aller à l'état 14 atome_general aller à l'état 15 composition aller à l'état 16 État 19 7 chc: Frac spc01 . Mul spc01 chc 26 molecs: Frac spc01 . molec Atome décalage et aller à l'état 1 Mul décalage et aller à l'état 40 Lpar décalage et aller à l'état 4 Lsq décalage et aller à l'état 5 molec aller à l'état 41 composition0 aller à l'état 13 groupe aller à l'état 14 atome_general aller à l'état 15 composition aller à l'état 16 État 20 43 groupe: Lpar composition . Rpar Rpar décalage et aller à l'état 42 État 21 33 composition0: Lsq spc01 . composition spc01 Rsq Atome décalage et aller à l'état 1 Lpar décalage et aller à l'état 4 groupe aller à l'état 14 atome_general aller à l'état 15 composition aller à l'état 43 État 22 0 $accept: but $end . $défaut accepter État 23 4 chcompose: chcompose spc01 . Compose spc01 chc 5 | chcompose spc01 . AntiCompose spc01 chc Compose décalage et aller à l'état 44 AntiCompose décalage et aller à l'état 45 État 24 10 cste: SpcLpar . cste1 Rpar Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) cste1 aller à l'état 46 spc01 aller à l'état 47 État 25 6 chc: chemeq cste . $défaut réduction par utilisation de la règle 6 (chc) État 26 23 membre: membre SpcPlus . spc01 molecs Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 48 État 27 22 chemeq: membre Spc . Fleche spc01 membre Fleche décalage et aller à l'état 49 État 28 38 charge: Plus . $défaut réduction par utilisation de la règle 38 (charge) État 29 41 charge: Moins . $défaut réduction par utilisation de la règle 41 (charge) État 30 39 charge: Haut . Plus 40 | Haut . Charge 42 | Haut . Moins Plus décalage et aller à l'état 50 Moins décalage et aller à l'état 51 Charge décalage et aller à l'état 52 État 31 36 typage: Sol . $défaut réduction par utilisation de la règle 36 (typage) État 32 37 typage: Gas . $défaut réduction par utilisation de la règle 37 (typage) État 33 35 typage: Aqueous . $défaut réduction par utilisation de la règle 35 (typage) État 34 30 molec: composition0 typage . $défaut réduction par utilisation de la règle 30 (molec) État 35 31 molec: composition0 charge . typage Sol décalage et aller à l'état 31 Gas décalage et aller à l'état 32 Aqueous décalage et aller à l'état 33 $défaut réduction par utilisation de la règle 34 (typage) typage aller à l'état 53 État 36 49 molecularite: Int . $défaut réduction par utilisation de la règle 49 (molecularite) État 37 46 composition: atome_general molecularite . composition 47 | atome_general molecularite . Atome décalage et aller à l'état 1 Lpar décalage et aller à l'état 4 $défaut réduction par utilisation de la règle 47 (composition) groupe aller à l'état 14 atome_general aller à l'état 15 composition aller à l'état 54 État 38 8 chc: Int spc01 Mul . spc01 chc Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 55 État 39 25 molecs: Int spc01 molec . $défaut réduction par utilisation de la règle 25 (molecs) État 40 7 chc: Frac spc01 Mul . spc01 chc Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 56 État 41 26 molecs: Frac spc01 molec . $défaut réduction par utilisation de la règle 26 (molecs) État 42 43 groupe: Lpar composition Rpar . $défaut réduction par utilisation de la règle 43 (groupe) État 43 33 composition0: Lsq spc01 composition . spc01 Rsq Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 57 État 44 4 chcompose: chcompose spc01 Compose . spc01 chc Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 58 État 45 5 chcompose: chcompose spc01 AntiCompose . spc01 chc Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 59 État 46 10 cste: SpcLpar cste1 . Rpar Rpar décalage et aller à l'état 60 État 47 11 cste1: spc01 . nombre volt 12 | spc01 . id spc01 Egal spc01 nombre volt Atome décalage et aller à l'état 61 Plus décalage et aller à l'état 62 Moins décalage et aller à l'état 63 Int décalage et aller à l'état 64 Real décalage et aller à l'état 65 nombre aller à l'état 66 id aller à l'état 67 État 48 23 membre: membre SpcPlus spc01 . molecs Atome décalage et aller à l'état 1 Int décalage et aller à l'état 68 Frac décalage et aller à l'état 69 Lpar décalage et aller à l'état 4 Lsq décalage et aller à l'état 5 molecs aller à l'état 70 molec aller à l'état 71 composition0 aller à l'état 13 groupe aller à l'état 14 atome_general aller à l'état 15 composition aller à l'état 16 État 49 22 chemeq: membre Spc Fleche . spc01 membre Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 72 État 50 39 charge: Haut Plus . $défaut réduction par utilisation de la règle 39 (charge) État 51 42 charge: Haut Moins . $défaut réduction par utilisation de la règle 42 (charge) État 52 40 charge: Haut Charge . $défaut réduction par utilisation de la règle 40 (charge) État 53 31 molec: composition0 charge typage . $défaut réduction par utilisation de la règle 31 (molec) État 54 46 composition: atome_general molecularite composition . $défaut réduction par utilisation de la règle 46 (composition) État 55 8 chc: Int spc01 Mul spc01 . chc Atome décalage et aller à l'état 1 Int décalage et aller à l'état 2 Frac décalage et aller à l'état 3 Lpar décalage et aller à l'état 4 Lsq décalage et aller à l'état 5 chc aller à l'état 73 chemeq aller à l'état 9 membre aller à l'état 10 molecs aller à l'état 11 molec aller à l'état 71 composition0 aller à l'état 13 groupe aller à l'état 14 atome_general aller à l'état 15 composition aller à l'état 16 État 56 7 chc: Frac spc01 Mul spc01 . chc Atome décalage et aller à l'état 1 Int décalage et aller à l'état 2 Frac décalage et aller à l'état 3 Lpar décalage et aller à l'état 4 Lsq décalage et aller à l'état 5 chc aller à l'état 74 chemeq aller à l'état 9 membre aller à l'état 10 molecs aller à l'état 11 molec aller à l'état 71 composition0 aller à l'état 13 groupe aller à l'état 14 atome_general aller à l'état 15 composition aller à l'état 16 État 57 33 composition0: Lsq spc01 composition spc01 . Rsq Rsq décalage et aller à l'état 75 État 58 4 chcompose: chcompose spc01 Compose spc01 . chc Atome décalage et aller à l'état 1 Int décalage et aller à l'état 2 Frac décalage et aller à l'état 3 Lpar décalage et aller à l'état 4 Lsq décalage et aller à l'état 5 chc aller à l'état 76 chemeq aller à l'état 9 membre aller à l'état 10 molecs aller à l'état 11 molec aller à l'état 71 composition0 aller à l'état 13 groupe aller à l'état 14 atome_general aller à l'état 15 composition aller à l'état 16 État 59 5 chcompose: chcompose spc01 AntiCompose spc01 . chc Atome décalage et aller à l'état 1 Int décalage et aller à l'état 2 Frac décalage et aller à l'état 3 Lpar décalage et aller à l'état 4 Lsq décalage et aller à l'état 5 chc aller à l'état 77 chemeq aller à l'état 9 membre aller à l'état 10 molecs aller à l'état 11 molec aller à l'état 71 composition0 aller à l'état 13 groupe aller à l'état 14 atome_general aller à l'état 15 composition aller à l'état 16 État 60 10 cste: SpcLpar cste1 Rpar . $défaut réduction par utilisation de la règle 10 (cste) État 61 21 id: Atome . $défaut réduction par utilisation de la règle 21 (id) État 62 15 nombre: Plus . spc01 Real 17 | Plus . spc01 Int Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 78 État 63 16 nombre: Moins . spc01 Real 18 | Moins . spc01 Int Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 79 État 64 14 nombre: Int . $défaut réduction par utilisation de la règle 14 (nombre) État 65 13 nombre: Real . $défaut réduction par utilisation de la règle 13 (nombre) État 66 11 cste1: spc01 nombre . volt Spc décalage et aller à l'état 17 Atome réduction par utilisation de la règle 28 (spc01) $défaut réduction par utilisation de la règle 19 (volt) volt aller à l'état 80 spc01 aller à l'état 81 État 67 12 cste1: spc01 id . spc01 Egal spc01 nombre volt Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 82 État 68 25 molecs: Int . spc01 molec Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 83 État 69 26 molecs: Frac . spc01 molec Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 84 État 70 23 membre: membre SpcPlus spc01 molecs . $défaut réduction par utilisation de la règle 23 (membre) État 71 27 molecs: molec . $défaut réduction par utilisation de la règle 27 (molecs) État 72 22 chemeq: membre Spc Fleche spc01 . membre Atome décalage et aller à l'état 1 Int décalage et aller à l'état 68 Frac décalage et aller à l'état 69 Lpar décalage et aller à l'état 4 Lsq décalage et aller à l'état 5 membre aller à l'état 85 molecs aller à l'état 11 molec aller à l'état 71 composition0 aller à l'état 13 groupe aller à l'état 14 atome_general aller à l'état 15 composition aller à l'état 16 État 73 8 chc: Int spc01 Mul spc01 chc . $défaut réduction par utilisation de la règle 8 (chc) État 74 7 chc: Frac spc01 Mul spc01 chc . $défaut réduction par utilisation de la règle 7 (chc) État 75 33 composition0: Lsq spc01 composition spc01 Rsq . $défaut réduction par utilisation de la règle 33 (composition0) État 76 4 chcompose: chcompose spc01 Compose spc01 chc . $défaut réduction par utilisation de la règle 4 (chcompose) État 77 5 chcompose: chcompose spc01 AntiCompose spc01 chc . $défaut réduction par utilisation de la règle 5 (chcompose) État 78 15 nombre: Plus spc01 . Real 17 | Plus spc01 . Int Int décalage et aller à l'état 86 Real décalage et aller à l'état 87 État 79 16 nombre: Moins spc01 . Real 18 | Moins spc01 . Int Int décalage et aller à l'état 88 Real décalage et aller à l'état 89 État 80 11 cste1: spc01 nombre volt . $défaut réduction par utilisation de la règle 11 (cste1) État 81 20 volt: spc01 . Atome Atome décalage et aller à l'état 90 État 82 12 cste1: spc01 id spc01 . Egal spc01 nombre volt Egal décalage et aller à l'état 91 État 83 25 molecs: Int spc01 . molec Atome décalage et aller à l'état 1 Lpar décalage et aller à l'état 4 Lsq décalage et aller à l'état 5 molec aller à l'état 39 composition0 aller à l'état 13 groupe aller à l'état 14 atome_general aller à l'état 15 composition aller à l'état 16 État 84 26 molecs: Frac spc01 . molec Atome décalage et aller à l'état 1 Lpar décalage et aller à l'état 4 Lsq décalage et aller à l'état 5 molec aller à l'état 41 composition0 aller à l'état 13 groupe aller à l'état 14 atome_general aller à l'état 15 composition aller à l'état 16 État 85 22 chemeq: membre Spc Fleche spc01 membre . 23 membre: membre . SpcPlus spc01 molecs SpcPlus décalage et aller à l'état 26 $défaut réduction par utilisation de la règle 22 (chemeq) État 86 17 nombre: Plus spc01 Int . $défaut réduction par utilisation de la règle 17 (nombre) État 87 15 nombre: Plus spc01 Real . $défaut réduction par utilisation de la règle 15 (nombre) État 88 18 nombre: Moins spc01 Int . $défaut réduction par utilisation de la règle 18 (nombre) État 89 16 nombre: Moins spc01 Real . $défaut réduction par utilisation de la règle 16 (nombre) État 90 20 volt: spc01 Atome . $défaut réduction par utilisation de la règle 20 (volt) État 91 12 cste1: spc01 id spc01 Egal . spc01 nombre volt Spc décalage et aller à l'état 17 $défaut réduction par utilisation de la règle 28 (spc01) spc01 aller à l'état 92 État 92 12 cste1: spc01 id spc01 Egal spc01 . nombre volt Plus décalage et aller à l'état 62 Moins décalage et aller à l'état 63 Int décalage et aller à l'état 64 Real décalage et aller à l'état 65 nombre aller à l'état 93 État 93 12 cste1: spc01 id spc01 Egal spc01 nombre . volt Spc décalage et aller à l'état 17 Atome réduction par utilisation de la règle 28 (spc01) $défaut réduction par utilisation de la règle 19 (volt) volt aller à l'état 94 spc01 aller à l'état 81 État 94 12 cste1: spc01 id spc01 Egal spc01 nombre volt . $défaut réduction par utilisation de la règle 12 (cste1) chemeq-2.12.orig/src/chemeq.l0000644000175000017500000000547311222350021016240 0ustar georgeskgeorgesk/* -*- coding: utf-8 -*- */ %option noyywrap %option c++ #include #include "chemeq.h" char * ind; int position = 0; /* les nombres */ digits [0-9] spc [ \t]+ int {digits}+ frac {int}{spc}?[/]{spc}?{int} mantisse {digits}+ real -?{int}([.]{mantisse})?([Ee][+-]?{int})? eol \n.* /* la flèche */ fleche [-]+> %% /* les règles */ /* pour les atomes */ Uu[a-z]|[A-Z][a-z]? { /* éléments Uux : transuraniens après le N 109 les autres sont les éléments ordinaires */ int i = 0; position += strlen(yytext); while (lesatomes[i].Zed != 0 && strcmp(yytext, lesatomes[i].symb)) i++; if (lesatomes[i].Zed == 0){ yylval.i=-2; /* -2 est le n° pour les éléments non définis */ strncpy(yylval.symb, yytext,3); } else { yylval.i=i; strcpy(yylval.symb, lesatomes[i].symb); } yylval.s = yytext; return Atome; } e {position++; yylval.i=-1; strcpy(yylval.symb, "e");return Atome;} \( { position++; return Lpar;} \) { position++; return Rpar;} {spc}+\( { position += strlen(yytext); return SpcLpar;} \[ { position ++; return Lsq;} \] { position ++; return Rsq;} {int} { position += strlen(yytext); yylval.i = atoi(yytext); return Int; } {real} { position += strlen(yytext); yylval.r = atof(yytext); return Real;} {frac} { position += strlen(yytext); ind = index(yytext,'/'); *ind=0; yylval.i = atoi(yytext); yylval.d = atoi(ind+1); return Frac; } \+{int} { position += strlen(yytext); yylval.i = atoi(yytext+1); return Charge; } \+[\+]+ { position += strlen(yytext); yylval.i = strlen(yytext); return Charge; } \-[\-]+ { position += strlen(yytext); yylval.i = -strlen(yytext); return Charge; } {int}\+ { position += strlen(yytext); yytext[strlen(yytext)]=0; yylval.i = atoi(yytext); return Charge; } {int}\- { position += strlen(yytext); yytext[strlen(yytext)]=0; yylval.i = -atoi(yytext); return Charge; } {spc}+\+ {position += strlen(yytext); return SpcPlus;} \- {position += strlen(yytext); return Moins;} \+ {position ++; return Plus;} \* {position ++; return Mul;} {fleche} {position += strlen(yytext); return Fleche;} {spc} {position += strlen(yytext); return Spc;} \^ {position ++; return Haut;} _s|s {position += strlen(yytext); return Sol;} _g|g {position += strlen(yytext); return Gas;} _ag|aq {position += strlen(yytext); return Aqueous;} = {position ++; return Egal;} # {position ++; return Compose;} ~ {position+=2; return AntiCompose;} {eol} {/* rien c'est la fin des entrées */} .|\n {position += strlen(yytext); /* rien */} chemeq-2.12.orig/src/Makefile0000644000175000017500000000152312206674670016277 0ustar georgeskgeorgesk# -*- coding: utf-8 -*- CXX = g++ CXXFLAGS= -g -O1 chemeq : chemeq.o chemparser.o mendeleiev.o ${CXX} $(CXXFLAGS) -o chemeq chemeq.o chemparser.o mendeleiev.o -lfl chemeq.h: chemeq.h.in echo "// Do not edit this file which has been automatically genreated." > $@ echo "// Instead, edit chemeq.h.in" >> $@ v=$$(basename $$(dirname $$(pwd))| sed 's/chemeq-//'); \ sed 's/VERSION.*/VERSION "'$$v'"/' $< >> $@ mendeleiev.o : mendeleiev.c chemeq.h ${CXX} $(CXXFLAGS) -c $< chemeq.o : chemeq.cc chemeq.h ${CXX} $(CXXFLAGS) -c chemeq.cc chemparser.o : chemparser.cc chemeq.h ${CXX} $(CXXFLAGS) -c chemparser.cc chemparser.cc : chemlex.cc chemeq.y chemeq.h bison --verbose -o chemparser.cc chemeq.y chemlex.cc : chemeq.l flex -ochemlex.cc chemeq.l clean : rm -f *~ *.o semantic.cache chemlex.cc chemparser.cc *.output chemeq chemeq.h chemeq-2.12.orig/src/.cvsignore0000644000175000017500000000015711222350021016613 0ustar georgeskgeorgeskchemlex.cc chemparser.cc.output chemparser.cc chemeq tmp.1 chemtest.tex chemtest.log chemtest.aux chemtest.dvi chemeq-2.12.orig/src/chemeq.h0000644000175000017500000002112712244451021016235 0ustar georgeskgeorgesk// Do not edit this file which has been automatically genreated. // Instead, edit chemeq.h.in // -*- coding: utf-8 -*- #ifndef CHEMEQ_H #define CHEMEQ_H #include #include #include #include #include #include #define VERSION "2.12" /* Constante d'Avogadro, recommandée par CODATA, 2006 */ #define Avogadro 6.022141e+23 /* Charge élémentaire, voir wikipedia, 2007 */ #define Electron 1.602176e-19 /* Constante de Boltzmann, voir Wikipedia, 2007 */ #define Kb 1.3806e-23 /* D'où la constante de Faraday */ #define Faraday (Avogadro * Electron) /* D'où la constante des Gaz parfaits 8.314 J.K^-1.mol^-1 */ #define R (Kb * Avogadro) /* Température de référence pour les réactions chimiques, 25°C */ #define T0 (273.15+25) /* MINVAL est une valeur impossible tant pour un potentiel standard */ /* que pour une constante d'équilibre */ #define MINVAL -999 typedef struct { int Zed; char symb[4]; } atome; extern atome lesatomes[]; typedef std::pair AtomeCompte; class Compteur : public std::map{ public: std::ostream & operator << (std::ostream & o)const; }; std::ostream & operator << (std::ostream & o, const Compteur & c); class Chemeq; class fraction{ public: int i; int d; fraction(int numerateur, int denominateur=1):i(numerateur),d(denominateur){}; void inverse(){int n=i; i=d; d=n;}; void simplifie(); }; const fraction & minFraction(const fraction&, const fraction &); std::ostream & operator << (std::ostream & o, fraction f); fraction operator * (fraction f, int m); fraction operator * (int m, fraction f); fraction operator * (fraction f, fraction m); fraction operator + (fraction f, fraction g); fraction operator - (fraction f, fraction g); bool operator > (fraction f, int i); bool operator > (fraction f1, fraction f2); bool operator != (fraction f, int i); class AtomeListe{ AtomeListe * suiv, *group; char symb[4]; int Zed, nb, no, sqbr; public: AtomeListe(const char* nom, int num, AtomeListe * s=0, AtomeListe * g=0){ strncpy(symb,nom,3); Zed=num; nb=1; sqbr=0; /* sqbr == 1 quand il y a un square bracket */ suiv = s; group=g; }; AtomeListe(const AtomeListe & a): suiv(a.suiv), group(a.group), Zed(a.Zed), nb(a.nb), sqbr(a.sqbr){ strncpy(symb,a.symb,3); }; const char * symbole() const{return symb;}; int Z()const{return Zed;}; int sq()const{return sqbr;}; void sq(int val){sqbr=val;}; void numerote(int n=0); void setmolecularite(int n){nb=n;}; int getmolecularite()const{return nb;}; AtomeListe * groupe(){return group;}; void groupe(AtomeListe * al){group= al;}; const AtomeListe * suivant()const{return suiv;}; const AtomeListe * groupe()const{return group;}; void setsuivant(AtomeListe * s){suiv=s;}; void compte (Compteur &c, fraction mult=fraction(1,1))const; double weight(fraction mult=fraction(1,1))const; static AtomeListe * triage(AtomeListe * al); void printcount(std::ostream & o, const fraction&, int multiple) const; void printnorm(std::ostream & o) const; bool isEqual(const AtomeListe & a2) const; void debug(int decal = 0)const{ for (int i=0; i< decal; i++) std::cout << " "; std::cout << "AtomeListe : ( & = " << this << " symb=\"" << symb << "\" Zed = " << Zed << " nb = " << nb << " no = " << no << " suiv = " << suiv << " group = " << group << ")\n"; if(group) group->debug(2+decal); if(suiv) suiv->debug(decal); }; }; typedef enum { aqueous, gas, sol } moltype; extern const char* moltypeStr[]; /* les chaînes aq, g,s */ class Membre; class Molec{ AtomeListe * al; int ch; fraction nb; int no; moltype t; public: Molec(AtomeListe * a, int c = 0, int n=1, int d=1): al(a), ch(c), nb(n,d), t(aqueous){}; Molec(const Molec & m): al(m.al), ch(m.ch), nb(m.nb.i,m.nb.d), t(m.t) {} AtomeListe & liste()const{return *al;}; int charge()const{return ch;}; bool eqMol(const Molec * m) const { return (al->isEqual(*(m->al))) && (ch== m->ch); } void nombre(int n, int d=1){nb=fraction(n,d);}; fraction nombre()const{return nb;}; void add(fraction f); void sub(fraction f); moltype typage()const{return t;}; void typage(moltype at){t=at;}; void numero(int n){no=n;}; int numero()const{return no;}; void triage(){al = AtomeListe::triage(al);}; void compte(Compteur & c)const{if (al) al->compte(c,nb);}; double weight(void)const{if (al) return al->weight(nb); else return 0.0;}; const std::string signature()const; void printNombre(std::ostream & o)const; bool printcount(std::ostream & o, bool first) const; bool printelec(std::ostream & o, bool first) const; bool printspecies(std::ostream & o, bool first) const; void printnorm(std::ostream & o)const; void printweigh(std::ostream & o)const; void coeff( fraction f); bool printNernst(std::ostream & o, const char * prefix =""); bool printNernstWIMS(std::ostream & o, bool wantedlatex); bool iswater()const; bool iselectron()const; fraction nbelectron()const; void debug(int decal = 0)const{ for (int i=0; i < decal; i++) std::cout << " "; std::cout << "Molec : ( " << this << " charge = " << ch << " nombre = " << nb << " no = " << no; al->debug(decal+2); std::cout << ")\n"; }; // two Molecs are equal if the AtomLists and the charges are equal. friend Membre operator & (Membre & m1, Membre & m2); friend Membre operator - (Membre & m1, Membre & m2); }; std::ostream & operator << (std::ostream & o, const AtomeListe & l); std::ostream & operator << (std::ostream & o, const Molec & m); class Membre : public std::vector{ public: int findMol(const Molec *); void addMol(const Molec *); void addMembre(const Membre *); void eraseNull(); void compte(Compteur & c)const; void numerote(); void triage(); void printnorm(std::ostream & o) const; void printcount(std::ostream & o) const; void printelec(std::ostream & o) const; void printspecies(std::ostream & o) const; void printweight(std::ostream & o) const; void coeff( fraction f); void printNernst(std::ostream & o); void printNernstWIMS(std::ostream & o, bool wantedlatex); int printableNernst(); bool redox()const; fraction nbelectron()const; void debug(int decal = 0)const{ for (int i=0; i < decal; i++) std::cout << " "; std::cout << "Membre : ( " << this; for (int j=0; j < size(); j++){ std::cout << j << " :\n"; operator[](j)->debug(decal+2); } std::cout << "\n"; } }; // intersection between two Membres Membre operator & (Membre & m1, Membre & m2); // members of first set which are not in the second Membre operator - (Membre & m1, Membre & m2); std::ostream & operator << (std::ostream & o, const Membre & m); class Chemeq{ Membre * gauche, * droit; std::string cste; long double val; public: Chemeq(Membre * g, Membre * d) : gauche (g), droit(d), val(MINVAL){}; const Membre * membredroit()const{return droit;}; const Membre * membregauche()const{return gauche;}; void addChemeq(const Chemeq *); void subChemeq(const Chemeq *); void simplifie(bool tri); void numerote(){gauche->numerote(); droit->numerote();}; void triage(){gauche->triage(); droit->triage();}; /* ajuste le coefficient pour qu'il y ait 1 mol du premier réactif */ void coeff1(); /* mutiplie par la fraction num/den */ void multiply(int num, int den); fraction nbelectron()const{return gauche->nbelectron()-droit->nbelectron();}; /* renvoie val ou nbelectron()*Faraday*val */ long double enthalpy() const; void normalise(){numerote(); triage(); coeff1();}; void printnorm(std::ostream & o); void printcount(std::ostream & o) const; void printelec(std::ostream & o) const; void printspecies(std::ostream & o) const; void printweight(std::ostream & o) const; void printNernst(std::ostream & o, std::ostream & w, bool wantedlatex=false); std::string equilibre(); bool redox()const; const std::string constante()const{ return cste;}; void constante (const std::string s) { cste = s;}; bool valdefined()const; double valeur()const{return val;}; std::string valeur_latex()const; void valeur(double r){val=r;}; }; std::ostream & operator << (std::ostream & o, const Chemeq & c); //struct taken from Kyle Burton's gperiodic /* structure to hold element data, as initialized from the static * mendeleiev.c */ enum info_types { NAME, SYMBOL, NUMBER, WEIGHT, MELTING, BOILING, PAULING, MAX_INFO_NR /* Has to be the last element */ }; struct table_entry { const char *info[MAX_INFO_NR]; }; extern struct table_entry table[]; double mendelweight(int i); int findmendel(const char * symb); double mendelweight(const char * symb); #endif chemeq-2.12.orig/src/chemparser.cc0000644000175000017500000017042012244451023017265 0ustar georgeskgeorgesk/* A Bison parser, made by GNU Bison 2.7.12-4996. */ /* Bison implementation for Yacc-like parsers in C Copyright (C) 1984, 1989-1990, 2000-2013 Free Software Foundation, Inc. This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program. If not, see . */ /* As a special exception, you may create a larger work that contains part or all of the Bison parser skeleton and distribute that work under terms of your choice, so long as that work isn't itself a parser generator using the skeleton or a modified version thereof as a parser skeleton. Alternatively, if you modify or redistribute the parser skeleton itself, you may (at your option) remove this special exception, which will cause the skeleton and the resulting Bison output files to be licensed under the GNU General Public License without this special exception. This special exception was added by the Free Software Foundation in version 2.2 of Bison. */ /* C LALR(1) parser skeleton written by Richard Stallman, by simplifying the original so-called "semantic" parser. */ /* All symbols defined below should begin with yy or YY, to avoid infringing on user name space. This should be done even for local variables, as they might otherwise be expanded by user macros. There are some unavoidable exceptions within include files to define necessary library symbols; they are noted "INFRINGES ON USER NAME SPACE" below. */ /* Identify Bison output. */ #define YYBISON 1 /* Bison version. */ #define YYBISON_VERSION "2.7.12-4996" /* Skeleton name. */ #define YYSKELETON_NAME "yacc.c" /* Pure parsers. */ #define YYPURE 0 /* Push parsers. */ #define YYPUSH 0 /* Pull parsers. */ #define YYPULL 1 /* Copy the first part of user declarations. */ /* Line 371 of yacc.c */ #line 2 "chemeq.y" /* inclusions, définition */ #include #include #include #include #include #include "chemeq.h" //#include #include int yylex(); int yyerror(char * msg); typedef struct{ int i, d; /* integer numerator, denominator */ double r; AtomeListe * al; Molec * m; Chemeq * cq; Membre * mb; char symb[4]; moltype t; std::string s; } yystype; #define YYSTYPE yystype /* variables globales */ yystype result; extern char * yytext; extern int position; int isequation; /* Line 371 of yacc.c */ #line 105 "chemparser.cc" # ifndef YY_NULL # if defined __cplusplus && 201103L <= __cplusplus # define YY_NULL nullptr # else # define YY_NULL 0 # endif # endif /* Enabling verbose error messages. */ #ifdef YYERROR_VERBOSE # undef YYERROR_VERBOSE # define YYERROR_VERBOSE 1 #else # define YYERROR_VERBOSE 0 #endif /* Enabling traces. */ #ifndef YYDEBUG # define YYDEBUG 0 #endif #if YYDEBUG extern int yydebug; #endif /* Tokens. */ #ifndef YYTOKENTYPE # define YYTOKENTYPE /* Put the tokens into the symbol table, so that GDB and other debuggers know about them. */ enum yytokentype { Atome = 258, SpcPlus = 259, Plus = 260, Moins = 261, Mul = 262, Fleche = 263, Int = 264, Charge = 265, Frac = 266, Real = 267, SpcLpar = 268, Lpar = 269, Rpar = 270, Lsq = 271, Rsq = 272, Haut = 273, Spc = 274, Sol = 275, Gas = 276, Aqueous = 277, Egal = 278, Compose = 279, AntiCompose = 280 }; #endif #if ! defined YYSTYPE && ! defined YYSTYPE_IS_DECLARED typedef int YYSTYPE; # define YYSTYPE_IS_TRIVIAL 1 # define yystype YYSTYPE /* obsolescent; will be withdrawn */ # define YYSTYPE_IS_DECLARED 1 #endif extern YYSTYPE yylval; #ifdef YYPARSE_PARAM #if defined __STDC__ || defined __cplusplus int yyparse (void *YYPARSE_PARAM); #else int yyparse (); #endif #else /* ! YYPARSE_PARAM */ #if defined __STDC__ || defined __cplusplus int yyparse (void); #else int yyparse (); #endif #endif /* ! YYPARSE_PARAM */ /* Copy the second part of user declarations. */ /* Line 390 of yacc.c */ #line 193 "chemparser.cc" #ifdef short # undef short #endif #ifdef YYTYPE_UINT8 typedef YYTYPE_UINT8 yytype_uint8; #else typedef unsigned char yytype_uint8; #endif #ifdef YYTYPE_INT8 typedef YYTYPE_INT8 yytype_int8; #elif (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) typedef signed char yytype_int8; #else typedef short int yytype_int8; #endif #ifdef YYTYPE_UINT16 typedef YYTYPE_UINT16 yytype_uint16; #else typedef unsigned short int yytype_uint16; #endif #ifdef YYTYPE_INT16 typedef YYTYPE_INT16 yytype_int16; #else typedef short int yytype_int16; #endif #ifndef YYSIZE_T # ifdef __SIZE_TYPE__ # define YYSIZE_T __SIZE_TYPE__ # elif defined size_t # define YYSIZE_T size_t # elif ! defined YYSIZE_T && (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) # include /* INFRINGES ON USER NAME SPACE */ # define YYSIZE_T size_t # else # define YYSIZE_T unsigned int # endif #endif #define YYSIZE_MAXIMUM ((YYSIZE_T) -1) #ifndef YY_ # if defined YYENABLE_NLS && YYENABLE_NLS # if ENABLE_NLS # include /* INFRINGES ON USER NAME SPACE */ # define YY_(Msgid) dgettext ("bison-runtime", Msgid) # endif # endif # ifndef YY_ # define YY_(Msgid) Msgid # endif #endif #ifndef __attribute__ /* This feature is available in gcc versions 2.5 and later. */ # if (! defined __GNUC__ || __GNUC__ < 2 \ || (__GNUC__ == 2 && __GNUC_MINOR__ < 5)) # define __attribute__(Spec) /* empty */ # endif #endif /* Suppress unused-variable warnings by "using" E. */ #if ! defined lint || defined __GNUC__ # define YYUSE(E) ((void) (E)) #else # define YYUSE(E) /* empty */ #endif /* Identity function, used to suppress warnings about constant conditions. */ #ifndef lint # define YYID(N) (N) #else #if (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) static int YYID (int yyi) #else static int YYID (yyi) int yyi; #endif { return yyi; } #endif #if ! defined yyoverflow || YYERROR_VERBOSE /* The parser invokes alloca or malloc; define the necessary symbols. */ # ifdef YYSTACK_USE_ALLOCA # if YYSTACK_USE_ALLOCA # ifdef __GNUC__ # define YYSTACK_ALLOC __builtin_alloca # elif defined __BUILTIN_VA_ARG_INCR # include /* INFRINGES ON USER NAME SPACE */ # elif defined _AIX # define YYSTACK_ALLOC __alloca # elif defined _MSC_VER # include /* INFRINGES ON USER NAME SPACE */ # define alloca _alloca # else # define YYSTACK_ALLOC alloca # if ! defined _ALLOCA_H && ! defined EXIT_SUCCESS && (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) # include /* INFRINGES ON USER NAME SPACE */ /* Use EXIT_SUCCESS as a witness for stdlib.h. */ # ifndef EXIT_SUCCESS # define EXIT_SUCCESS 0 # endif # endif # endif # endif # endif # ifdef YYSTACK_ALLOC /* Pacify GCC's `empty if-body' warning. */ # define YYSTACK_FREE(Ptr) do { /* empty */; } while (YYID (0)) # ifndef YYSTACK_ALLOC_MAXIMUM /* The OS might guarantee only one guard page at the bottom of the stack, and a page size can be as small as 4096 bytes. So we cannot safely invoke alloca (N) if N exceeds 4096. Use a slightly smaller number to allow for a few compiler-allocated temporary stack slots. */ # define YYSTACK_ALLOC_MAXIMUM 4032 /* reasonable circa 2006 */ # endif # else # define YYSTACK_ALLOC YYMALLOC # define YYSTACK_FREE YYFREE # ifndef YYSTACK_ALLOC_MAXIMUM # define YYSTACK_ALLOC_MAXIMUM YYSIZE_MAXIMUM # endif # if (defined __cplusplus && ! defined EXIT_SUCCESS \ && ! ((defined YYMALLOC || defined malloc) \ && (defined YYFREE || defined free))) # include /* INFRINGES ON USER NAME SPACE */ # ifndef EXIT_SUCCESS # define EXIT_SUCCESS 0 # endif # endif # ifndef YYMALLOC # define YYMALLOC malloc # if ! defined malloc && ! defined EXIT_SUCCESS && (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) void *malloc (YYSIZE_T); /* INFRINGES ON USER NAME SPACE */ # endif # endif # ifndef YYFREE # define YYFREE free # if ! defined free && ! defined EXIT_SUCCESS && (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) void free (void *); /* INFRINGES ON USER NAME SPACE */ # endif # endif # endif #endif /* ! defined yyoverflow || YYERROR_VERBOSE */ #if (! defined yyoverflow \ && (! defined __cplusplus \ || (defined YYSTYPE_IS_TRIVIAL && YYSTYPE_IS_TRIVIAL))) /* A type that is properly aligned for any stack member. */ union yyalloc { yytype_int16 yyss_alloc; YYSTYPE yyvs_alloc; }; /* The size of the maximum gap between one aligned stack and the next. */ # define YYSTACK_GAP_MAXIMUM (sizeof (union yyalloc) - 1) /* The size of an array large to enough to hold all stacks, each with N elements. */ # define YYSTACK_BYTES(N) \ ((N) * (sizeof (yytype_int16) + sizeof (YYSTYPE)) \ + YYSTACK_GAP_MAXIMUM) # define YYCOPY_NEEDED 1 /* Relocate STACK from its old location to the new one. The local variables YYSIZE and YYSTACKSIZE give the old and new number of elements in the stack, and YYPTR gives the new location of the stack. Advance YYPTR to a properly aligned location for the next stack. */ # define YYSTACK_RELOCATE(Stack_alloc, Stack) \ do \ { \ YYSIZE_T yynewbytes; \ YYCOPY (&yyptr->Stack_alloc, Stack, yysize); \ Stack = &yyptr->Stack_alloc; \ yynewbytes = yystacksize * sizeof (*Stack) + YYSTACK_GAP_MAXIMUM; \ yyptr += yynewbytes / sizeof (*yyptr); \ } \ while (YYID (0)) #endif #if defined YYCOPY_NEEDED && YYCOPY_NEEDED /* Copy COUNT objects from SRC to DST. The source and destination do not overlap. */ # ifndef YYCOPY # if defined __GNUC__ && 1 < __GNUC__ # define YYCOPY(Dst, Src, Count) \ __builtin_memcpy (Dst, Src, (Count) * sizeof (*(Src))) # else # define YYCOPY(Dst, Src, Count) \ do \ { \ YYSIZE_T yyi; \ for (yyi = 0; yyi < (Count); yyi++) \ (Dst)[yyi] = (Src)[yyi]; \ } \ while (YYID (0)) # endif # endif #endif /* !YYCOPY_NEEDED */ /* YYFINAL -- State number of the termination state. */ #define YYFINAL 22 /* YYLAST -- Last index in YYTABLE. */ #define YYLAST 104 /* YYNTOKENS -- Number of terminals. */ #define YYNTOKENS 26 /* YYNNTS -- Number of nonterminals. */ #define YYNNTS 21 /* YYNRULES -- Number of rules. */ #define YYNRULES 50 /* YYNRULES -- Number of states. */ #define YYNSTATES 95 /* YYTRANSLATE(YYLEX) -- Bison symbol number corresponding to YYLEX. */ #define YYUNDEFTOK 2 #define YYMAXUTOK 280 #define YYTRANSLATE(YYX) \ ((unsigned int) (YYX) <= YYMAXUTOK ? yytranslate[YYX] : YYUNDEFTOK) /* YYTRANSLATE[YYLEX] -- Bison symbol number corresponding to YYLEX. */ static const yytype_uint8 yytranslate[] = { 0, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25 }; #if YYDEBUG /* YYPRHS[YYN] -- Index of the first RHS symbol of rule number YYN in YYRHS. */ static const yytype_uint8 yyprhs[] = { 0, 0, 3, 5, 7, 9, 15, 21, 24, 30, 36, 37, 41, 45, 53, 55, 57, 61, 65, 69, 73, 74, 77, 79, 85, 90, 92, 96, 100, 102, 103, 105, 108, 112, 114, 120, 121, 123, 125, 127, 129, 132, 135, 137, 140, 144, 146, 148, 152, 155, 156 }; /* YYRHS -- A `-1'-separated list of the rules' RHS. */ static const yytype_int8 yyrhs[] = { 27, 0, -1, 28, -1, 39, -1, 29, -1, 28, 38, 24, 38, 29, -1, 28, 38, 25, 38, 29, -1, 35, 30, -1, 11, 38, 7, 38, 29, -1, 9, 38, 7, 38, 29, -1, -1, 13, 31, 15, -1, 38, 32, 33, -1, 38, 34, 38, 23, 38, 32, 33, -1, 12, -1, 9, -1, 5, 38, 12, -1, 6, 38, 12, -1, 5, 38, 9, -1, 6, 38, 9, -1, -1, 38, 3, -1, 3, -1, 36, 19, 8, 38, 36, -1, 36, 4, 38, 37, -1, 37, -1, 9, 38, 39, -1, 11, 38, 39, -1, 39, -1, -1, 19, -1, 40, 41, -1, 40, 42, 41, -1, 45, -1, 16, 38, 45, 38, 17, -1, -1, 22, -1, 20, -1, 21, -1, 5, -1, 18, 5, -1, 18, 10, -1, 6, -1, 18, 6, -1, 14, 45, 15, -1, 43, -1, 3, -1, 44, 46, 45, -1, 44, 46, -1, -1, 9, -1 }; /* YYRLINE[YYN] -- source line where rule number YYN was defined. */ static const yytype_uint8 yyrline[] = { 0, 66, 66, 70, 76, 77, 81, 87, 92, 95, 100, 101, 104, 105, 108, 109, 110, 111, 112, 113, 116, 117, 120, 123, 128, 131, 137, 141, 145, 150, 151, 154, 157, 163, 164, 167, 168, 169, 170, 173, 174, 175, 176, 177, 180, 185, 188, 198, 203, 209, 212 }; #endif #if YYDEBUG || YYERROR_VERBOSE || 0 /* YYTNAME[SYMBOL-NUM] -- String name of the symbol SYMBOL-NUM. First, the terminals, then, starting at YYNTOKENS, nonterminals. */ static const char *const yytname[] = { "$end", "error", "$undefined", "Atome", "SpcPlus", "Plus", "Moins", "Mul", "Fleche", "Int", "Charge", "Frac", "Real", "SpcLpar", "Lpar", "Rpar", "Lsq", "Rsq", "Haut", "Spc", "Sol", "Gas", "Aqueous", "Egal", "Compose", "AntiCompose", "$accept", "but", "chcompose", "chc", "cste", "cste1", "nombre", "volt", "id", "chemeq", "membre", "molecs", "spc01", "molec", "composition0", "typage", "charge", "groupe", "atome_general", "composition", "molecularite", YY_NULL }; #endif # ifdef YYPRINT /* YYTOKNUM[YYLEX-NUM] -- Internal token number corresponding to token YYLEX-NUM. */ static const yytype_uint16 yytoknum[] = { 0, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280 }; # endif /* YYR1[YYN] -- Symbol number of symbol that rule YYN derives. */ static const yytype_uint8 yyr1[] = { 0, 26, 27, 27, 28, 28, 28, 29, 29, 29, 30, 30, 31, 31, 32, 32, 32, 32, 32, 32, 33, 33, 34, 35, 36, 36, 37, 37, 37, 38, 38, 39, 39, 40, 40, 41, 41, 41, 41, 42, 42, 42, 42, 42, 43, 44, 44, 45, 45, 46, 46 }; /* YYR2[YYN] -- Number of symbols composing right hand side of rule YYN. */ static const yytype_uint8 yyr2[] = { 0, 2, 1, 1, 1, 5, 5, 2, 5, 5, 0, 3, 3, 7, 1, 1, 3, 3, 3, 3, 0, 2, 1, 5, 4, 1, 3, 3, 1, 0, 1, 2, 3, 1, 5, 0, 1, 1, 1, 1, 2, 2, 1, 2, 3, 1, 1, 3, 2, 0, 1 }; /* YYDEFACT[STATE-NAME] -- Default reduction number in state STATE-NUM. Performed when YYTABLE doesn't specify something else to do. Zero means the default is an error. */ static const yytype_uint8 yydefact[] = { 0, 46, 29, 29, 0, 29, 0, 29, 4, 10, 0, 25, 28, 35, 45, 49, 33, 30, 0, 0, 0, 0, 1, 0, 29, 7, 29, 0, 39, 42, 0, 37, 38, 36, 31, 35, 50, 48, 29, 26, 29, 27, 44, 29, 29, 29, 0, 0, 0, 29, 40, 43, 41, 32, 47, 0, 0, 0, 0, 0, 11, 22, 29, 29, 15, 14, 20, 29, 29, 29, 24, 28, 0, 9, 8, 34, 5, 6, 0, 0, 12, 0, 0, 0, 0, 23, 18, 16, 19, 17, 21, 29, 0, 20, 13 }; /* YYDEFGOTO[NTERM-NUM]. */ static const yytype_int8 yydefgoto[] = { -1, 6, 7, 8, 25, 46, 66, 80, 67, 9, 10, 11, 81, 71, 13, 34, 35, 14, 15, 16, 37 }; /* YYPACT[STATE-NUM] -- Index in YYTABLE of the portion describing STATE-NUM. */ #define YYPACT_NINF -29 static const yytype_int8 yypact[] = { 37, -29, -7, -7, 5, -7, 16, 4, -29, 20, 13, -29, 18, 9, -29, 41, -29, -29, 42, 74, 48, 5, -29, 10, -7, -29, -7, 44, -29, -29, 49, -29, -29, -29, -29, 81, -29, 5, -7, -29, -7, -29, -29, -7, -7, -7, 61, 88, 59, -7, -29, -29, -29, -29, -29, 37, 37, 40, 37, 37, -29, -29, -7, -7, -29, -29, 6, -7, -7, -7, -29, -29, 59, -29, -29, -29, -29, -29, 60, 62, -29, 75, 64, 23, 23, 80, -29, -29, -29, -29, -29, -7, 1, 6, -29 }; /* YYPGOTO[NTERM-NUM]. */ static const yytype_int8 yypgoto[] = { -29, -29, -29, 24, -29, -29, -28, -1, -29, -29, 26, 47, -2, 2, -29, 69, -29, -29, -29, 7, -29 }; /* YYTABLE[YYPACT[STATE-NUM]]. What to do in state STATE-NUM. If positive, shift that token. If negative, reduce the rule which number is the opposite. If YYTABLE_NINF, syntax error. */ #define YYTABLE_NINF -30 static const yytype_int8 yytable[] = { 18, 19, 12, 21, -2, 23, 62, 63, 1, -29, 64, 20, 17, 65, 28, 29, 22, 26, -3, 4, 39, 41, 47, 17, 48, 17, 1, 30, 43, 31, 32, 33, 27, 24, 44, 45, 55, 4, 56, 5, 1, 57, 58, 59, 54, 1, 2, 72, 3, 38, 36, 4, 49, 5, 50, 51, 4, 75, 5, 52, 78, 79, 1, 42, 93, 82, 83, 84, 68, 86, 69, 88, 87, 4, 89, 5, 60, 1, 90, 73, 74, 40, 76, 77, 26, 39, 41, 91, 4, 92, 5, 61, 94, 62, 63, 70, 0, 64, 85, 0, 65, 31, 32, 33, 53 }; #define yypact_value_is_default(Yystate) \ (!!((Yystate) == (-29))) #define yytable_value_is_error(Yytable_value) \ YYID (0) static const yytype_int8 yycheck[] = { 2, 3, 0, 5, 0, 7, 5, 6, 3, 3, 9, 4, 19, 12, 5, 6, 0, 4, 0, 14, 18, 19, 24, 19, 26, 19, 3, 18, 21, 20, 21, 22, 19, 13, 24, 25, 38, 14, 40, 16, 3, 43, 44, 45, 37, 3, 9, 49, 11, 7, 9, 14, 8, 16, 5, 6, 14, 17, 16, 10, 62, 63, 3, 15, 92, 67, 68, 69, 9, 9, 11, 9, 12, 14, 12, 16, 15, 3, 3, 55, 56, 7, 58, 59, 4, 83, 84, 23, 14, 91, 16, 3, 93, 5, 6, 48, -1, 9, 72, -1, 12, 20, 21, 22, 35 }; /* YYSTOS[STATE-NUM] -- The (internal number of the) accessing symbol of state STATE-NUM. */ static const yytype_uint8 yystos[] = { 0, 3, 9, 11, 14, 16, 27, 28, 29, 35, 36, 37, 39, 40, 43, 44, 45, 19, 38, 38, 45, 38, 0, 38, 13, 30, 4, 19, 5, 6, 18, 20, 21, 22, 41, 42, 9, 46, 7, 39, 7, 39, 15, 45, 24, 25, 31, 38, 38, 8, 5, 6, 10, 41, 45, 38, 38, 38, 38, 38, 15, 3, 5, 6, 9, 12, 32, 34, 9, 11, 37, 39, 38, 29, 29, 17, 29, 29, 38, 38, 33, 38, 38, 38, 38, 36, 9, 12, 9, 12, 3, 23, 38, 32, 33 }; #define yyerrok (yyerrstatus = 0) #define yyclearin (yychar = YYEMPTY) #define YYEMPTY (-2) #define YYEOF 0 #define YYACCEPT goto yyacceptlab #define YYABORT goto yyabortlab #define YYERROR goto yyerrorlab /* Like YYERROR except do call yyerror. This remains here temporarily to ease the transition to the new meaning of YYERROR, for GCC. Once GCC version 2 has supplanted version 1, this can go. However, YYFAIL appears to be in use. Nevertheless, it is formally deprecated in Bison 2.4.2's NEWS entry, where a plan to phase it out is discussed. */ #define YYFAIL goto yyerrlab #if defined YYFAIL /* This is here to suppress warnings from the GCC cpp's -Wunused-macros. Normally we don't worry about that warning, but some users do, and we want to make it easy for users to remove YYFAIL uses, which will produce warnings from Bison 2.5. */ #endif #define YYRECOVERING() (!!yyerrstatus) #define YYBACKUP(Token, Value) \ do \ if (yychar == YYEMPTY) \ { \ yychar = (Token); \ yylval = (Value); \ YYPOPSTACK (yylen); \ yystate = *yyssp; \ goto yybackup; \ } \ else \ { \ yyerror (YY_("syntax error: cannot back up")); \ YYERROR; \ } \ while (YYID (0)) /* Error token number */ #define YYTERROR 1 #define YYERRCODE 256 /* This macro is provided for backward compatibility. */ #ifndef YY_LOCATION_PRINT # define YY_LOCATION_PRINT(File, Loc) ((void) 0) #endif /* YYLEX -- calling `yylex' with the right arguments. */ #ifdef YYLEX_PARAM # define YYLEX yylex (YYLEX_PARAM) #else # define YYLEX yylex () #endif /* Enable debugging if requested. */ #if YYDEBUG # ifndef YYFPRINTF # include /* INFRINGES ON USER NAME SPACE */ # define YYFPRINTF fprintf # endif # define YYDPRINTF(Args) \ do { \ if (yydebug) \ YYFPRINTF Args; \ } while (YYID (0)) # define YY_SYMBOL_PRINT(Title, Type, Value, Location) \ do { \ if (yydebug) \ { \ YYFPRINTF (stderr, "%s ", Title); \ yy_symbol_print (stderr, \ Type, Value); \ YYFPRINTF (stderr, "\n"); \ } \ } while (YYID (0)) /*--------------------------------. | Print this symbol on YYOUTPUT. | `--------------------------------*/ /*ARGSUSED*/ #if (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) static void yy_symbol_value_print (FILE *yyoutput, int yytype, YYSTYPE const * const yyvaluep) #else static void yy_symbol_value_print (yyoutput, yytype, yyvaluep) FILE *yyoutput; int yytype; YYSTYPE const * const yyvaluep; #endif { FILE *yyo = yyoutput; YYUSE (yyo); if (!yyvaluep) return; # ifdef YYPRINT if (yytype < YYNTOKENS) YYPRINT (yyoutput, yytoknum[yytype], *yyvaluep); # else YYUSE (yyoutput); # endif YYUSE (yytype); } /*--------------------------------. | Print this symbol on YYOUTPUT. | `--------------------------------*/ #if (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) static void yy_symbol_print (FILE *yyoutput, int yytype, YYSTYPE const * const yyvaluep) #else static void yy_symbol_print (yyoutput, yytype, yyvaluep) FILE *yyoutput; int yytype; YYSTYPE const * const yyvaluep; #endif { if (yytype < YYNTOKENS) YYFPRINTF (yyoutput, "token %s (", yytname[yytype]); else YYFPRINTF (yyoutput, "nterm %s (", yytname[yytype]); yy_symbol_value_print (yyoutput, yytype, yyvaluep); YYFPRINTF (yyoutput, ")"); } /*------------------------------------------------------------------. | yy_stack_print -- Print the state stack from its BOTTOM up to its | | TOP (included). | `------------------------------------------------------------------*/ #if (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) static void yy_stack_print (yytype_int16 *yybottom, yytype_int16 *yytop) #else static void yy_stack_print (yybottom, yytop) yytype_int16 *yybottom; yytype_int16 *yytop; #endif { YYFPRINTF (stderr, "Stack now"); for (; yybottom <= yytop; yybottom++) { int yybot = *yybottom; YYFPRINTF (stderr, " %d", yybot); } YYFPRINTF (stderr, "\n"); } # define YY_STACK_PRINT(Bottom, Top) \ do { \ if (yydebug) \ yy_stack_print ((Bottom), (Top)); \ } while (YYID (0)) /*------------------------------------------------. | Report that the YYRULE is going to be reduced. | `------------------------------------------------*/ #if (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) static void yy_reduce_print (YYSTYPE *yyvsp, int yyrule) #else static void yy_reduce_print (yyvsp, yyrule) YYSTYPE *yyvsp; int yyrule; #endif { int yynrhs = yyr2[yyrule]; int yyi; unsigned long int yylno = yyrline[yyrule]; YYFPRINTF (stderr, "Reducing stack by rule %d (line %lu):\n", yyrule - 1, yylno); /* The symbols being reduced. */ for (yyi = 0; yyi < yynrhs; yyi++) { YYFPRINTF (stderr, " $%d = ", yyi + 1); yy_symbol_print (stderr, yyrhs[yyprhs[yyrule] + yyi], &(yyvsp[(yyi + 1) - (yynrhs)]) ); YYFPRINTF (stderr, "\n"); } } # define YY_REDUCE_PRINT(Rule) \ do { \ if (yydebug) \ yy_reduce_print (yyvsp, Rule); \ } while (YYID (0)) /* Nonzero means print parse trace. It is left uninitialized so that multiple parsers can coexist. */ int yydebug; #else /* !YYDEBUG */ # define YYDPRINTF(Args) # define YY_SYMBOL_PRINT(Title, Type, Value, Location) # define YY_STACK_PRINT(Bottom, Top) # define YY_REDUCE_PRINT(Rule) #endif /* !YYDEBUG */ /* YYINITDEPTH -- initial size of the parser's stacks. */ #ifndef YYINITDEPTH # define YYINITDEPTH 200 #endif /* YYMAXDEPTH -- maximum size the stacks can grow to (effective only if the built-in stack extension method is used). Do not make this value too large; the results are undefined if YYSTACK_ALLOC_MAXIMUM < YYSTACK_BYTES (YYMAXDEPTH) evaluated with infinite-precision integer arithmetic. */ #ifndef YYMAXDEPTH # define YYMAXDEPTH 10000 #endif #if YYERROR_VERBOSE # ifndef yystrlen # if defined __GLIBC__ && defined _STRING_H # define yystrlen strlen # else /* Return the length of YYSTR. */ #if (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) static YYSIZE_T yystrlen (const char *yystr) #else static YYSIZE_T yystrlen (yystr) const char *yystr; #endif { YYSIZE_T yylen; for (yylen = 0; yystr[yylen]; yylen++) continue; return yylen; } # endif # endif # ifndef yystpcpy # if defined __GLIBC__ && defined _STRING_H && defined _GNU_SOURCE # define yystpcpy stpcpy # else /* Copy YYSRC to YYDEST, returning the address of the terminating '\0' in YYDEST. */ #if (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) static char * yystpcpy (char *yydest, const char *yysrc) #else static char * yystpcpy (yydest, yysrc) char *yydest; const char *yysrc; #endif { char *yyd = yydest; const char *yys = yysrc; while ((*yyd++ = *yys++) != '\0') continue; return yyd - 1; } # endif # endif # ifndef yytnamerr /* Copy to YYRES the contents of YYSTR after stripping away unnecessary quotes and backslashes, so that it's suitable for yyerror. The heuristic is that double-quoting is unnecessary unless the string contains an apostrophe, a comma, or backslash (other than backslash-backslash). YYSTR is taken from yytname. If YYRES is null, do not copy; instead, return the length of what the result would have been. */ static YYSIZE_T yytnamerr (char *yyres, const char *yystr) { if (*yystr == '"') { YYSIZE_T yyn = 0; char const *yyp = yystr; for (;;) switch (*++yyp) { case '\'': case ',': goto do_not_strip_quotes; case '\\': if (*++yyp != '\\') goto do_not_strip_quotes; /* Fall through. */ default: if (yyres) yyres[yyn] = *yyp; yyn++; break; case '"': if (yyres) yyres[yyn] = '\0'; return yyn; } do_not_strip_quotes: ; } if (! yyres) return yystrlen (yystr); return yystpcpy (yyres, yystr) - yyres; } # endif /* Copy into *YYMSG, which is of size *YYMSG_ALLOC, an error message about the unexpected token YYTOKEN for the state stack whose top is YYSSP. Return 0 if *YYMSG was successfully written. Return 1 if *YYMSG is not large enough to hold the message. In that case, also set *YYMSG_ALLOC to the required number of bytes. Return 2 if the required number of bytes is too large to store. */ static int yysyntax_error (YYSIZE_T *yymsg_alloc, char **yymsg, yytype_int16 *yyssp, int yytoken) { YYSIZE_T yysize0 = yytnamerr (YY_NULL, yytname[yytoken]); YYSIZE_T yysize = yysize0; enum { YYERROR_VERBOSE_ARGS_MAXIMUM = 5 }; /* Internationalized format string. */ const char *yyformat = YY_NULL; /* Arguments of yyformat. */ char const *yyarg[YYERROR_VERBOSE_ARGS_MAXIMUM]; /* Number of reported tokens (one for the "unexpected", one per "expected"). */ int yycount = 0; /* There are many possibilities here to consider: - Assume YYFAIL is not used. It's too flawed to consider. See for details. YYERROR is fine as it does not invoke this function. - If this state is a consistent state with a default action, then the only way this function was invoked is if the default action is an error action. In that case, don't check for expected tokens because there are none. - The only way there can be no lookahead present (in yychar) is if this state is a consistent state with a default action. Thus, detecting the absence of a lookahead is sufficient to determine that there is no unexpected or expected token to report. In that case, just report a simple "syntax error". - Don't assume there isn't a lookahead just because this state is a consistent state with a default action. There might have been a previous inconsistent state, consistent state with a non-default action, or user semantic action that manipulated yychar. - Of course, the expected token list depends on states to have correct lookahead information, and it depends on the parser not to perform extra reductions after fetching a lookahead from the scanner and before detecting a syntax error. Thus, state merging (from LALR or IELR) and default reductions corrupt the expected token list. However, the list is correct for canonical LR with one exception: it will still contain any token that will not be accepted due to an error action in a later state. */ if (yytoken != YYEMPTY) { int yyn = yypact[*yyssp]; yyarg[yycount++] = yytname[yytoken]; if (!yypact_value_is_default (yyn)) { /* Start YYX at -YYN if negative to avoid negative indexes in YYCHECK. In other words, skip the first -YYN actions for this state because they are default actions. */ int yyxbegin = yyn < 0 ? -yyn : 0; /* Stay within bounds of both yycheck and yytname. */ int yychecklim = YYLAST - yyn + 1; int yyxend = yychecklim < YYNTOKENS ? yychecklim : YYNTOKENS; int yyx; for (yyx = yyxbegin; yyx < yyxend; ++yyx) if (yycheck[yyx + yyn] == yyx && yyx != YYTERROR && !yytable_value_is_error (yytable[yyx + yyn])) { if (yycount == YYERROR_VERBOSE_ARGS_MAXIMUM) { yycount = 1; yysize = yysize0; break; } yyarg[yycount++] = yytname[yyx]; { YYSIZE_T yysize1 = yysize + yytnamerr (YY_NULL, yytname[yyx]); if (! (yysize <= yysize1 && yysize1 <= YYSTACK_ALLOC_MAXIMUM)) return 2; yysize = yysize1; } } } } switch (yycount) { # define YYCASE_(N, S) \ case N: \ yyformat = S; \ break YYCASE_(0, YY_("syntax error")); YYCASE_(1, YY_("syntax error, unexpected %s")); YYCASE_(2, YY_("syntax error, unexpected %s, expecting %s")); YYCASE_(3, YY_("syntax error, unexpected %s, expecting %s or %s")); YYCASE_(4, YY_("syntax error, unexpected %s, expecting %s or %s or %s")); YYCASE_(5, YY_("syntax error, unexpected %s, expecting %s or %s or %s or %s")); # undef YYCASE_ } { YYSIZE_T yysize1 = yysize + yystrlen (yyformat); if (! (yysize <= yysize1 && yysize1 <= YYSTACK_ALLOC_MAXIMUM)) return 2; yysize = yysize1; } if (*yymsg_alloc < yysize) { *yymsg_alloc = 2 * yysize; if (! (yysize <= *yymsg_alloc && *yymsg_alloc <= YYSTACK_ALLOC_MAXIMUM)) *yymsg_alloc = YYSTACK_ALLOC_MAXIMUM; return 1; } /* Avoid sprintf, as that infringes on the user's name space. Don't have undefined behavior even if the translation produced a string with the wrong number of "%s"s. */ { char *yyp = *yymsg; int yyi = 0; while ((*yyp = *yyformat) != '\0') if (*yyp == '%' && yyformat[1] == 's' && yyi < yycount) { yyp += yytnamerr (yyp, yyarg[yyi++]); yyformat += 2; } else { yyp++; yyformat++; } } return 0; } #endif /* YYERROR_VERBOSE */ /*-----------------------------------------------. | Release the memory associated to this symbol. | `-----------------------------------------------*/ /*ARGSUSED*/ #if (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) static void yydestruct (const char *yymsg, int yytype, YYSTYPE *yyvaluep) #else static void yydestruct (yymsg, yytype, yyvaluep) const char *yymsg; int yytype; YYSTYPE *yyvaluep; #endif { YYUSE (yyvaluep); if (!yymsg) yymsg = "Deleting"; YY_SYMBOL_PRINT (yymsg, yytype, yyvaluep, yylocationp); YYUSE (yytype); } /* The lookahead symbol. */ int yychar; #ifndef YY_IGNORE_MAYBE_UNINITIALIZED_BEGIN # define YY_IGNORE_MAYBE_UNINITIALIZED_BEGIN # define YY_IGNORE_MAYBE_UNINITIALIZED_END #endif #ifndef YY_INITIAL_VALUE # define YY_INITIAL_VALUE(Value) /* Nothing. */ #endif /* The semantic value of the lookahead symbol. */ YYSTYPE yylval YY_INITIAL_VALUE(yyval_default); /* Number of syntax errors so far. */ int yynerrs; /*----------. | yyparse. | `----------*/ #ifdef YYPARSE_PARAM #if (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) int yyparse (void *YYPARSE_PARAM) #else int yyparse (YYPARSE_PARAM) void *YYPARSE_PARAM; #endif #else /* ! YYPARSE_PARAM */ #if (defined __STDC__ || defined __C99__FUNC__ \ || defined __cplusplus || defined _MSC_VER) int yyparse (void) #else int yyparse () #endif #endif { int yystate; /* Number of tokens to shift before error messages enabled. */ int yyerrstatus; /* The stacks and their tools: `yyss': related to states. `yyvs': related to semantic values. Refer to the stacks through separate pointers, to allow yyoverflow to reallocate them elsewhere. */ /* The state stack. */ yytype_int16 yyssa[YYINITDEPTH]; yytype_int16 *yyss; yytype_int16 *yyssp; /* The semantic value stack. */ YYSTYPE yyvsa[YYINITDEPTH]; YYSTYPE *yyvs; YYSTYPE *yyvsp; YYSIZE_T yystacksize; int yyn; int yyresult; /* Lookahead token as an internal (translated) token number. */ int yytoken = 0; /* The variables used to return semantic value and location from the action routines. */ YYSTYPE yyval; #if YYERROR_VERBOSE /* Buffer for error messages, and its allocated size. */ char yymsgbuf[128]; char *yymsg = yymsgbuf; YYSIZE_T yymsg_alloc = sizeof yymsgbuf; #endif #define YYPOPSTACK(N) (yyvsp -= (N), yyssp -= (N)) /* The number of symbols on the RHS of the reduced rule. Keep to zero when no symbol should be popped. */ int yylen = 0; yyssp = yyss = yyssa; yyvsp = yyvs = yyvsa; yystacksize = YYINITDEPTH; YYDPRINTF ((stderr, "Starting parse\n")); yystate = 0; yyerrstatus = 0; yynerrs = 0; yychar = YYEMPTY; /* Cause a token to be read. */ goto yysetstate; /*------------------------------------------------------------. | yynewstate -- Push a new state, which is found in yystate. | `------------------------------------------------------------*/ yynewstate: /* In all cases, when you get here, the value and location stacks have just been pushed. So pushing a state here evens the stacks. */ yyssp++; yysetstate: *yyssp = yystate; if (yyss + yystacksize - 1 <= yyssp) { /* Get the current used size of the three stacks, in elements. */ YYSIZE_T yysize = yyssp - yyss + 1; #ifdef yyoverflow { /* Give user a chance to reallocate the stack. Use copies of these so that the &'s don't force the real ones into memory. */ YYSTYPE *yyvs1 = yyvs; yytype_int16 *yyss1 = yyss; /* Each stack pointer address is followed by the size of the data in use in that stack, in bytes. This used to be a conditional around just the two extra args, but that might be undefined if yyoverflow is a macro. */ yyoverflow (YY_("memory exhausted"), &yyss1, yysize * sizeof (*yyssp), &yyvs1, yysize * sizeof (*yyvsp), &yystacksize); yyss = yyss1; yyvs = yyvs1; } #else /* no yyoverflow */ # ifndef YYSTACK_RELOCATE goto yyexhaustedlab; # else /* Extend the stack our own way. */ if (YYMAXDEPTH <= yystacksize) goto yyexhaustedlab; yystacksize *= 2; if (YYMAXDEPTH < yystacksize) yystacksize = YYMAXDEPTH; { yytype_int16 *yyss1 = yyss; union yyalloc *yyptr = (union yyalloc *) YYSTACK_ALLOC (YYSTACK_BYTES (yystacksize)); if (! yyptr) goto yyexhaustedlab; YYSTACK_RELOCATE (yyss_alloc, yyss); YYSTACK_RELOCATE (yyvs_alloc, yyvs); # undef YYSTACK_RELOCATE if (yyss1 != yyssa) YYSTACK_FREE (yyss1); } # endif #endif /* no yyoverflow */ yyssp = yyss + yysize - 1; yyvsp = yyvs + yysize - 1; YYDPRINTF ((stderr, "Stack size increased to %lu\n", (unsigned long int) yystacksize)); if (yyss + yystacksize - 1 <= yyssp) YYABORT; } YYDPRINTF ((stderr, "Entering state %d\n", yystate)); if (yystate == YYFINAL) YYACCEPT; goto yybackup; /*-----------. | yybackup. | `-----------*/ yybackup: /* Do appropriate processing given the current state. Read a lookahead token if we need one and don't already have one. */ /* First try to decide what to do without reference to lookahead token. */ yyn = yypact[yystate]; if (yypact_value_is_default (yyn)) goto yydefault; /* Not known => get a lookahead token if don't already have one. */ /* YYCHAR is either YYEMPTY or YYEOF or a valid lookahead symbol. */ if (yychar == YYEMPTY) { YYDPRINTF ((stderr, "Reading a token: ")); yychar = YYLEX; } if (yychar <= YYEOF) { yychar = yytoken = YYEOF; YYDPRINTF ((stderr, "Now at end of input.\n")); } else { yytoken = YYTRANSLATE (yychar); YY_SYMBOL_PRINT ("Next token is", yytoken, &yylval, &yylloc); } /* If the proper action on seeing token YYTOKEN is to reduce or to detect an error, take that action. */ yyn += yytoken; if (yyn < 0 || YYLAST < yyn || yycheck[yyn] != yytoken) goto yydefault; yyn = yytable[yyn]; if (yyn <= 0) { if (yytable_value_is_error (yyn)) goto yyerrlab; yyn = -yyn; goto yyreduce; } /* Count tokens shifted since error; after three, turn off error status. */ if (yyerrstatus) yyerrstatus--; /* Shift the lookahead token. */ YY_SYMBOL_PRINT ("Shifting", yytoken, &yylval, &yylloc); /* Discard the shifted token. */ yychar = YYEMPTY; yystate = yyn; YY_IGNORE_MAYBE_UNINITIALIZED_BEGIN *++yyvsp = yylval; YY_IGNORE_MAYBE_UNINITIALIZED_END goto yynewstate; /*-----------------------------------------------------------. | yydefault -- do the default action for the current state. | `-----------------------------------------------------------*/ yydefault: yyn = yydefact[yystate]; if (yyn == 0) goto yyerrlab; goto yyreduce; /*-----------------------------. | yyreduce -- Do a reduction. | `-----------------------------*/ yyreduce: /* yyn is the number of a rule to reduce with. */ yylen = yyr2[yyn]; /* If YYLEN is nonzero, implement the default value of the action: `$$ = $1'. Otherwise, the following line sets YYVAL to garbage. This behavior is undocumented and Bison users should not rely upon it. Assigning to YYVAL unconditionally makes the parser a bit smaller, and it avoids a GCC warning that YYVAL may be used uninitialized. */ yyval = yyvsp[1-yylen]; YY_REDUCE_PRINT (yyn); switch (yyn) { case 2: /* Line 1787 of yacc.c */ #line 66 "chemeq.y" { result=(yyvsp[(1) - (1)]); isequation=1; } break; case 3: /* Line 1787 of yacc.c */ #line 70 "chemeq.y" { result=(yyvsp[(1) - (1)]); isequation=0; } break; case 4: /* Line 1787 of yacc.c */ #line 76 "chemeq.y" {(yyval)=(yyvsp[(1) - (1)]);} break; case 5: /* Line 1787 of yacc.c */ #line 77 "chemeq.y" { (yyvsp[(1) - (5)]).cq->addChemeq((yyvsp[(5) - (5)]).cq); (yyval)=(yyvsp[(1) - (5)]); } break; case 6: /* Line 1787 of yacc.c */ #line 81 "chemeq.y" { (yyvsp[(1) - (5)]).cq->subChemeq((yyvsp[(5) - (5)]).cq); (yyval)=(yyvsp[(1) - (5)]); } break; case 7: /* Line 1787 of yacc.c */ #line 87 "chemeq.y" { (yyval)=(yyvsp[(1) - (2)]); (yyval).cq->constante((yyvsp[(2) - (2)]).s); (yyval).cq->valeur((yyvsp[(2) - (2)]).r); } break; case 8: /* Line 1787 of yacc.c */ #line 92 "chemeq.y" { (yyval).cq = (yyvsp[(5) - (5)]).cq; (yyval).cq->multiply((yyvsp[(1) - (5)]).i,(yyvsp[(1) - (5)]).d); } break; case 9: /* Line 1787 of yacc.c */ #line 95 "chemeq.y" { (yyval).cq = (yyvsp[(5) - (5)]).cq; (yyval).cq->multiply((yyvsp[(1) - (5)]).i,1); } break; case 10: /* Line 1787 of yacc.c */ #line 100 "chemeq.y" {(yyval).s = ""; (yyval).r = MINVAL; /* valeur négative : non défini */} break; case 11: /* Line 1787 of yacc.c */ #line 101 "chemeq.y" {(yyval) = (yyvsp[(2) - (3)]);} break; case 12: /* Line 1787 of yacc.c */ #line 104 "chemeq.y" {(yyval).s = ""; (yyval).r = (yyvsp[(2) - (3)]).r;} break; case 13: /* Line 1787 of yacc.c */ #line 105 "chemeq.y" {(yyval).s = (yyvsp[(2) - (7)]).s; (yyval).r = (yyvsp[(6) - (7)]).r;} break; case 14: /* Line 1787 of yacc.c */ #line 108 "chemeq.y" {(yyval).r=(yyvsp[(1) - (1)]).r;} break; case 15: /* Line 1787 of yacc.c */ #line 109 "chemeq.y" {(yyval).r=1.0*(yyvsp[(1) - (1)]).i;} break; case 16: /* Line 1787 of yacc.c */ #line 110 "chemeq.y" {(yyval).r=(yyvsp[(3) - (3)]).r;} break; case 17: /* Line 1787 of yacc.c */ #line 111 "chemeq.y" {(yyval).r=-(yyvsp[(3) - (3)]).r;} break; case 18: /* Line 1787 of yacc.c */ #line 112 "chemeq.y" {(yyval).r=1.0*(yyvsp[(3) - (3)]).i;} break; case 19: /* Line 1787 of yacc.c */ #line 113 "chemeq.y" {(yyval).r=-1.0*(yyvsp[(3) - (3)]).i;} break; case 21: /* Line 1787 of yacc.c */ #line 117 "chemeq.y" {if ((yyvsp[(2) - (2)]).s.compare("V")!=0) yyerror (strdup("only 'V' allowed as unit")); } break; case 22: /* Line 1787 of yacc.c */ #line 120 "chemeq.y" {/* $$.s contient le nom */} break; case 23: /* Line 1787 of yacc.c */ #line 123 "chemeq.y" { (yyval).cq = new Chemeq((yyvsp[(1) - (5)]).mb,(yyvsp[(5) - (5)]).mb); } break; case 24: /* Line 1787 of yacc.c */ #line 128 "chemeq.y" { (yyval).mb->addMol((yyvsp[(4) - (4)]).m); } break; case 25: /* Line 1787 of yacc.c */ #line 131 "chemeq.y" { (yyval).mb = new Membre; (yyval).mb->push_back((yyvsp[(1) - (1)]).m); } break; case 26: /* Line 1787 of yacc.c */ #line 137 "chemeq.y" { (yyval) = (yyvsp[(3) - (3)]); (yyval).m->nombre((yyvsp[(1) - (3)]).i); } break; case 27: /* Line 1787 of yacc.c */ #line 141 "chemeq.y" { (yyval) = (yyvsp[(3) - (3)]); (yyval).m->nombre((yyvsp[(1) - (3)]).i,(yyvsp[(1) - (3)]).d); } break; case 28: /* Line 1787 of yacc.c */ #line 145 "chemeq.y" { (yyval) = (yyvsp[(1) - (1)]); } break; case 31: /* Line 1787 of yacc.c */ #line 154 "chemeq.y" { (yyval).m = new Molec((yyvsp[(1) - (2)]).al,0); (yyval).m->typage((yyvsp[(2) - (2)]).t); } break; case 32: /* Line 1787 of yacc.c */ #line 157 "chemeq.y" { (yyval).m = new Molec((yyvsp[(1) - (3)]).al,(yyvsp[(2) - (3)]).i);(yyval).m->typage((yyvsp[(3) - (3)]).t); } break; case 33: /* Line 1787 of yacc.c */ #line 163 "chemeq.y" {(yyval).al=(yyvsp[(1) - (1)]).al;} break; case 34: /* Line 1787 of yacc.c */ #line 164 "chemeq.y" {(yyval).al=(yyvsp[(3) - (5)]).al; (yyval).al->sq(1);} break; case 35: /* Line 1787 of yacc.c */ #line 167 "chemeq.y" {(yyval).t = aqueous;} break; case 36: /* Line 1787 of yacc.c */ #line 168 "chemeq.y" {(yyval).t = aqueous;} break; case 37: /* Line 1787 of yacc.c */ #line 169 "chemeq.y" {(yyval).t = sol;} break; case 38: /* Line 1787 of yacc.c */ #line 170 "chemeq.y" {(yyval).t = gas;} break; case 39: /* Line 1787 of yacc.c */ #line 173 "chemeq.y" {(yyval).i=1;} break; case 40: /* Line 1787 of yacc.c */ #line 174 "chemeq.y" {(yyval).i=1;} break; case 41: /* Line 1787 of yacc.c */ #line 175 "chemeq.y" {(yyval).i=(yyvsp[(2) - (2)]).i;} break; case 42: /* Line 1787 of yacc.c */ #line 176 "chemeq.y" {(yyval).i=-1;} break; case 43: /* Line 1787 of yacc.c */ #line 177 "chemeq.y" {(yyval).i=-1;} break; case 44: /* Line 1787 of yacc.c */ #line 180 "chemeq.y" { (yyval)=(yyvsp[(2) - (3)]); } break; case 45: /* Line 1787 of yacc.c */ #line 185 "chemeq.y" { (yyval).al = new AtomeListe("",0,0,(yyvsp[(1) - (1)]).al); } break; case 46: /* Line 1787 of yacc.c */ #line 188 "chemeq.y" { char buffer[25]; if ((yyvsp[(1) - (1)]).i==-2) { /* ce n'est pas un atome recensé */ sprintf(buffer,"nonexistent atom : %s", (yyvsp[(1) - (1)]).symb); yyerror(buffer); } (yyval).al = new AtomeListe((yyvsp[(1) - (1)]).symb,(yyvsp[(1) - (1)]).i); } break; case 47: /* Line 1787 of yacc.c */ #line 198 "chemeq.y" { (yyval) = (yyvsp[(1) - (3)]); (yyval).al->setmolecularite((yyvsp[(2) - (3)]).i); (yyval).al->setsuivant((yyvsp[(3) - (3)]).al); } break; case 48: /* Line 1787 of yacc.c */ #line 203 "chemeq.y" { (yyval).al = (yyvsp[(1) - (2)]).al; (yyval).al->setmolecularite((yyvsp[(2) - (2)]).i); } break; case 49: /* Line 1787 of yacc.c */ #line 209 "chemeq.y" { (yyval).i=1; } break; case 50: /* Line 1787 of yacc.c */ #line 212 "chemeq.y" { (yyval)=(yyvsp[(1) - (1)]); } break; /* Line 1787 of yacc.c */ #line 1801 "chemparser.cc" default: break; } /* User semantic actions sometimes alter yychar, and that requires that yytoken be updated with the new translation. We take the approach of translating immediately before every use of yytoken. One alternative is translating here after every semantic action, but that translation would be missed if the semantic action invokes YYABORT, YYACCEPT, or YYERROR immediately after altering yychar or if it invokes YYBACKUP. In the case of YYABORT or YYACCEPT, an incorrect destructor might then be invoked immediately. In the case of YYERROR or YYBACKUP, subsequent parser actions might lead to an incorrect destructor call or verbose syntax error message before the lookahead is translated. */ YY_SYMBOL_PRINT ("-> $$ =", yyr1[yyn], &yyval, &yyloc); YYPOPSTACK (yylen); yylen = 0; YY_STACK_PRINT (yyss, yyssp); *++yyvsp = yyval; /* Now `shift' the result of the reduction. Determine what state that goes to, based on the state we popped back to and the rule number reduced by. */ yyn = yyr1[yyn]; yystate = yypgoto[yyn - YYNTOKENS] + *yyssp; if (0 <= yystate && yystate <= YYLAST && yycheck[yystate] == *yyssp) yystate = yytable[yystate]; else yystate = yydefgoto[yyn - YYNTOKENS]; goto yynewstate; /*------------------------------------. | yyerrlab -- here on detecting error | `------------------------------------*/ yyerrlab: /* Make sure we have latest lookahead translation. See comments at user semantic actions for why this is necessary. */ yytoken = yychar == YYEMPTY ? YYEMPTY : YYTRANSLATE (yychar); /* If not already recovering from an error, report this error. */ if (!yyerrstatus) { ++yynerrs; #if ! YYERROR_VERBOSE yyerror (YY_("syntax error")); #else # define YYSYNTAX_ERROR yysyntax_error (&yymsg_alloc, &yymsg, \ yyssp, yytoken) { char const *yymsgp = YY_("syntax error"); int yysyntax_error_status; yysyntax_error_status = YYSYNTAX_ERROR; if (yysyntax_error_status == 0) yymsgp = yymsg; else if (yysyntax_error_status == 1) { if (yymsg != yymsgbuf) YYSTACK_FREE (yymsg); yymsg = (char *) YYSTACK_ALLOC (yymsg_alloc); if (!yymsg) { yymsg = yymsgbuf; yymsg_alloc = sizeof yymsgbuf; yysyntax_error_status = 2; } else { yysyntax_error_status = YYSYNTAX_ERROR; yymsgp = yymsg; } } yyerror (yymsgp); if (yysyntax_error_status == 2) goto yyexhaustedlab; } # undef YYSYNTAX_ERROR #endif } if (yyerrstatus == 3) { /* If just tried and failed to reuse lookahead token after an error, discard it. */ if (yychar <= YYEOF) { /* Return failure if at end of input. */ if (yychar == YYEOF) YYABORT; } else { yydestruct ("Error: discarding", yytoken, &yylval); yychar = YYEMPTY; } } /* Else will try to reuse lookahead token after shifting the error token. */ goto yyerrlab1; /*---------------------------------------------------. | yyerrorlab -- error raised explicitly by YYERROR. | `---------------------------------------------------*/ yyerrorlab: /* Pacify compilers like GCC when the user code never invokes YYERROR and the label yyerrorlab therefore never appears in user code. */ if (/*CONSTCOND*/ 0) goto yyerrorlab; /* Do not reclaim the symbols of the rule which action triggered this YYERROR. */ YYPOPSTACK (yylen); yylen = 0; YY_STACK_PRINT (yyss, yyssp); yystate = *yyssp; goto yyerrlab1; /*-------------------------------------------------------------. | yyerrlab1 -- common code for both syntax error and YYERROR. | `-------------------------------------------------------------*/ yyerrlab1: yyerrstatus = 3; /* Each real token shifted decrements this. */ for (;;) { yyn = yypact[yystate]; if (!yypact_value_is_default (yyn)) { yyn += YYTERROR; if (0 <= yyn && yyn <= YYLAST && yycheck[yyn] == YYTERROR) { yyn = yytable[yyn]; if (0 < yyn) break; } } /* Pop the current state because it cannot handle the error token. */ if (yyssp == yyss) YYABORT; yydestruct ("Error: popping", yystos[yystate], yyvsp); YYPOPSTACK (1); yystate = *yyssp; YY_STACK_PRINT (yyss, yyssp); } YY_IGNORE_MAYBE_UNINITIALIZED_BEGIN *++yyvsp = yylval; YY_IGNORE_MAYBE_UNINITIALIZED_END /* Shift the error token. */ YY_SYMBOL_PRINT ("Shifting", yystos[yyn], yyvsp, yylsp); yystate = yyn; goto yynewstate; /*-------------------------------------. | yyacceptlab -- YYACCEPT comes here. | `-------------------------------------*/ yyacceptlab: yyresult = 0; goto yyreturn; /*-----------------------------------. | yyabortlab -- YYABORT comes here. | `-----------------------------------*/ yyabortlab: yyresult = 1; goto yyreturn; #if !defined yyoverflow || YYERROR_VERBOSE /*-------------------------------------------------. | yyexhaustedlab -- memory exhaustion comes here. | `-------------------------------------------------*/ yyexhaustedlab: yyerror (YY_("memory exhausted")); yyresult = 2; /* Fall through. */ #endif yyreturn: if (yychar != YYEMPTY) { /* Make sure we have latest lookahead translation. See comments at user semantic actions for why this is necessary. */ yytoken = YYTRANSLATE (yychar); yydestruct ("Cleanup: discarding lookahead", yytoken, &yylval); } /* Do not reclaim the symbols of the rule which action triggered this YYABORT or YYACCEPT. */ YYPOPSTACK (yylen); YY_STACK_PRINT (yyss, yyssp); while (yyssp != yyss) { yydestruct ("Cleanup: popping", yystos[*yyssp], yyvsp); YYPOPSTACK (1); } #ifndef yyoverflow if (yyss != yyssa) YYSTACK_FREE (yyss); #endif #if YYERROR_VERBOSE if (yymsg != yymsgbuf) YYSTACK_FREE (yymsg); #endif /* Make sure YYID is used. */ return YYID (yyresult); } /* Line 2050 of yacc.c */ #line 217 "chemeq.y" #include "chemlex.cc" yyFlexLexer lexer; yyFlexLexer * thelexer = &lexer; int yylex(){ return thelexer->yylex(); } /* le programme lui-même */ inline int yyerror(char * msg){ fprintf(stderr, "ERROR %s at %d\n ", msg, position); exit(1); } void printVersion(){ std::cout << "Chemeq version " << VERSION << "\n(c) Georges Khaznadar ."; std::cout << "\nThis program is free, licensed under G.P.L.\n"; } void printHelp(){ std::cout << "Usage : chemeq [-m] [-l] [-c] [-w] [-C] [-n] [-e] [-s] [-v] [-h]" << std::endl; std::cout << " default is equivalent to 'chemeq -mlcwCn'" << std::endl; std::cout << " chemeq reads its standard input which must be a standard" << std::endl; std::cout << " chemical equation. It outputs many strings useful for chemical" << std::endl; std::cout << " calculations." << std::endl; std::cout << " As an example you can try the following command :" << std::endl; std::cout << " echo \"Fes -> Fe^2+ + 2 e- (0.44 V)\" | chemeq" << std::endl; } #define maxoption 16 void optionadd(char* b, char* allowed, int c); void optionadd(char* b, char* allowed, int c){ if (strchr(allowed,c) && !strchr(b,c) && strlen(b) < maxoption+1){ int l = strlen(b); b[l]=c; b[l+1]=0; } return; } int main(int argc, char * argv[]){ char * optstr = strdup("mMlcCwnesvh"); char * envoption=getenv("chemeq_option"); if (envoption==NULL) envoption=getenv("w_chemeq_option"); char * envinput =getenv("chemeq_input"); if (envinput==NULL) envinput=getenv("w_chemeq_input"); char asked[maxoption+1]=""; int i,ch; bool nooption=1; std::ostringstream w; while (-1 != (ch=getopt(argc,argv,optstr))){ optionadd(asked,optstr,ch); } if (envoption!=NULL) for(i=0; iprintnorm(std::cout); std::cout << std::endl; break; case 'M': nooption=0; result.cq->printweight(std::cout); std::cout << std::endl; break; case 'l': nooption=0; std::cout << *result.cq << std::endl; break; case 'c': nooption=0; std::cout << result.cq->equilibre() << std::endl; break; case 'w': nooption=0; result.cq->printNernst(std::cout,w,wantedlatex); std::cout << std::endl; std::cout << w.str() << std::endl; break; case 'n': nooption=0; result.cq->normalise(); result.cq->printnorm(std::cout); std::cout << std::endl; break; case 'C': nooption=0; result.cq->printcount(std::cout); std::cout << std::endl; break; case 'e': nooption=0; result.cq->printelec(std::cout); std::cout << std::endl; break; case 's': nooption=0; result.cq->printspecies(std::cout); std::cout << std::endl; break; } } if (nooption){ result.cq->printnorm(std::cout); std::cout << std::endl; std::cout << *result.cq << std::endl; std::cout << result.cq->equilibre() << std::endl; result.cq->printNernst(std::cout,w); std::cout << std::endl; result.cq->printcount(std::cout); std::cout << std::endl; result.cq->normalise(); result.cq->printnorm(std::cout); std::cout << std::endl; } } else { /* ce n'est pas une équation */ for(i=0; iweight(); std::cout << std::endl; break; } } if (nooption){ std::cout << *result.m; } } return 0; } chemeq-2.12.orig/src/chemeq.y0000644000175000017500000001625312206675133016274 0ustar georgeskgeorgesk// -*- coding: utf-8 -*- %{ /* inclusions, définition */ #include #include #include #include #include #include "chemeq.h" //#include #include int yylex(); int yyerror(char * msg); typedef struct{ int i, d; /* integer numerator, denominator */ double r; AtomeListe * al; Molec * m; Chemeq * cq; Membre * mb; char symb[4]; moltype t; std::string s; } yystype; #define YYSTYPE yystype /* variables globales */ yystype result; extern char * yytext; extern int position; int isequation; %} %token Atome %token SpcPlus %token Plus %token Moins %token Mul %token Fleche %token Int %token Charge %token Frac %token Real %token SpcLpar %token Lpar %token Rpar %token Lsq %token Rsq %token Haut %token Spc %token Sol %token Gas %token Aqueous %token Egal %token Compose %token AntiCompose %% /* les règles */ but : chcompose { result=$1; isequation=1; } | molec { result=$1; isequation=0; } ; chcompose : chc {$$=$1;} | chcompose spc01 Compose spc01 chc { $1.cq->addChemeq($5.cq); $$=$1; } | chcompose spc01 AntiCompose spc01 chc { $1.cq->subChemeq($5.cq); $$=$1; } ; chc : chemeq cste{ $$=$1; $$.cq->constante($2.s); $$.cq->valeur($2.r); } | Frac spc01 Mul spc01 chc { $$.cq = $5.cq; $$.cq->multiply($1.i,$1.d); } | Int spc01 Mul spc01 chc { $$.cq = $5.cq; $$.cq->multiply($1.i,1); } ; cste : /* rien */ {$$.s = ""; $$.r = MINVAL; /* valeur négative : non défini */} | SpcLpar cste1 Rpar {$$ = $2;} ; cste1 : spc01 nombre volt{$$.s = ""; $$.r = $2.r;} | spc01 id spc01 Egal spc01 nombre volt{$$.s = $2.s; $$.r = $6.r;} ; nombre : Real {$$.r=$1.r;} | Int {$$.r=1.0*$1.i;} | Plus spc01 Real{$$.r=$3.r;} | Moins spc01 Real{$$.r=-$3.r;} | Plus spc01 Int{$$.r=1.0*$3.i;} | Moins spc01 Int{$$.r=-1.0*$3.i;} ; volt : /* rien */ | spc01 Atome {if ($2.s.compare("V")!=0) yyerror (strdup("only 'V' allowed as unit")); } ; id : Atome {/* $$.s contient le nom */} ; chemeq : membre Spc Fleche spc01 membre{ $$.cq = new Chemeq($1.mb,$5.mb); } ; membre : membre SpcPlus spc01 molecs { $$.mb->addMol($4.m); } | molecs { $$.mb = new Membre; $$.mb->push_back($1.m); } ; molecs : Int spc01 molec { $$ = $3; $$.m->nombre($1.i); } | Frac spc01 molec { $$ = $3; $$.m->nombre($1.i,$1.d); } | molec{ $$ = $1; } ; spc01 : /*rien*/ | Spc ; molec : composition0 typage{ $$.m = new Molec($1.al,0); $$.m->typage($2.t); } | composition0 charge typage{ $$.m = new Molec($1.al,$2.i);$$.m->typage($3.t); } ; composition0 : composition {$$.al=$1.al;} | Lsq spc01 composition spc01 Rsq {$$.al=$3.al; $$.al->sq(1);} ; typage : /* rien */ {$$.t = aqueous;} | Aqueous {$$.t = aqueous;} | Sol {$$.t = sol;} | Gas {$$.t = gas;} ; charge : Plus {$$.i=1;} | Haut Plus {$$.i=1;} | Haut Charge {$$.i=$2.i;} | Moins{$$.i=-1;} | Haut Moins{$$.i=-1;} ; groupe : Lpar composition Rpar { $$=$2; } ; atome_general : groupe { $$.al = new AtomeListe("",0,0,$1.al); } | Atome{ char buffer[25]; if ($1.i==-2) { /* ce n'est pas un atome recensé */ sprintf(buffer,"nonexistent atom : %s", $1.symb); yyerror(buffer); } $$.al = new AtomeListe($1.symb,$1.i); } ; composition : atome_general molecularite composition { $$ = $1; $$.al->setmolecularite($2.i); $$.al->setsuivant($3.al); } | atome_general molecularite{ $$.al = $1.al; $$.al->setmolecularite($2.i); } ; molecularite : /*rien*/{ $$.i=1; } | Int { $$=$1; } ; %% #include "chemlex.cc" yyFlexLexer lexer; yyFlexLexer * thelexer = &lexer; int yylex(){ return thelexer->yylex(); } /* le programme lui-même */ inline int yyerror(char * msg){ fprintf(stderr, "ERROR %s at %d\n ", msg, position); exit(1); } void printVersion(){ std::cout << "Chemeq version " << VERSION << "\n(c) Georges Khaznadar ."; std::cout << "\nThis program is free, licensed under G.P.L.\n"; } void printHelp(){ std::cout << "Usage : chemeq [-m] [-l] [-c] [-w] [-C] [-n] [-e] [-s] [-v] [-h]" << std::endl; std::cout << " default is equivalent to 'chemeq -mlcwCn'" << std::endl; std::cout << " chemeq reads its standard input which must be a standard" << std::endl; std::cout << " chemical equation. It outputs many strings useful for chemical" << std::endl; std::cout << " calculations." << std::endl; std::cout << " As an example you can try the following command :" << std::endl; std::cout << " echo \"Fes -> Fe^2+ + 2 e- (0.44 V)\" | chemeq" << std::endl; } #define maxoption 16 void optionadd(char* b, char* allowed, int c); void optionadd(char* b, char* allowed, int c){ if (strchr(allowed,c) && !strchr(b,c) && strlen(b) < maxoption+1){ int l = strlen(b); b[l]=c; b[l+1]=0; } return; } int main(int argc, char * argv[]){ char * optstr = strdup("mMlcCwnesvh"); char * envoption=getenv("chemeq_option"); if (envoption==NULL) envoption=getenv("w_chemeq_option"); char * envinput =getenv("chemeq_input"); if (envinput==NULL) envinput=getenv("w_chemeq_input"); char asked[maxoption+1]=""; int i,ch; bool nooption=1; std::ostringstream w; while (-1 != (ch=getopt(argc,argv,optstr))){ optionadd(asked,optstr,ch); } if (envoption!=NULL) for(i=0; iprintnorm(std::cout); std::cout << std::endl; break; case 'M': nooption=0; result.cq->printweight(std::cout); std::cout << std::endl; break; case 'l': nooption=0; std::cout << *result.cq << std::endl; break; case 'c': nooption=0; std::cout << result.cq->equilibre() << std::endl; break; case 'w': nooption=0; result.cq->printNernst(std::cout,w,wantedlatex); std::cout << std::endl; std::cout << w.str() << std::endl; break; case 'n': nooption=0; result.cq->normalise(); result.cq->printnorm(std::cout); std::cout << std::endl; break; case 'C': nooption=0; result.cq->printcount(std::cout); std::cout << std::endl; break; case 'e': nooption=0; result.cq->printelec(std::cout); std::cout << std::endl; break; case 's': nooption=0; result.cq->printspecies(std::cout); std::cout << std::endl; break; } } if (nooption){ result.cq->printnorm(std::cout); std::cout << std::endl; std::cout << *result.cq << std::endl; std::cout << result.cq->equilibre() << std::endl; result.cq->printNernst(std::cout,w); std::cout << std::endl; result.cq->printcount(std::cout); std::cout << std::endl; result.cq->normalise(); result.cq->printnorm(std::cout); std::cout << std::endl; } } else { /* ce n'est pas une équation */ for(i=0; iweight(); std::cout << std::endl; break; } } if (nooption){ std::cout << *result.m; } } return 0; } chemeq-2.12.orig/src/chemeq0000755000175000017500000173277712244451025016043 0ustar georgeskgeorgeskELF>0'@@k@8@&#@@@@@@@@@ aa#+ 00a0a@@DDPtd@@44Qtd/lib64/ld-linux-x86-64.so.2GNU GNUI2// NXmo35Re|0  ARSUVWZ\^`abcefsh߳%m CɁ $pyIk(EL9 v0Y@mQs:I?N? 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[)\mathrm{\mathrm{e}\frac{}\,vector::_M_insert_aux+}\mathrm{H}_{2}\mathrm{O}\mathrm{O}\mathrm{H}_{2}\mathrm{e}^{-}^+-, ; + P_{P_\,+\, -> ( = Vbasic_string::erase\times 10^{\,=\,K; KE\,=\,E=E_{0}E_{0};E0;\,+\,\frac{R\,T}{\,F}\log\,\longrightarrow\,\,(ERROR / OKaqbasic_string::_S_construct null not validy?T@T]8?ڠ @fffffr@fatal flex scanner internal error--end of buffer missedfatal error - scanner input buffer overflowout of dynamic memory in yy_get_next_buffer()flex scanner push-back overflowout of dynamic memory in yy_create_buffer()out of dynamic memory in yyensure_buffer_stack()fatal flex scanner internal error--no action foundout of memory expanding start-condition stackstart-condition stack underflow (c) Georges Khaznadar . This program is free, licensed under G.P.L. Usage : chemeq [-m] [-l] [-c] [-w] [-C] [-n] [-e] [-s] [-v] [-h] default is equivalent to 'chemeq -mlcwCn' chemeq reads its standard input which must be a standard chemical equation. It outputs many strings useful for chemical As an example you can try the following command : echo "Fes -> Fe^2+ + 2 e- (0.44 V)" | chemeqinput in flex scanner failedERROR %s at %d Chemeq version 2.12 calculations.memory exhaustedonly 'V' allowed as unitnonexistent atom : %ssyntax errormMlcCwnesvhw_chemeq_optionw_chemeq_inputs@@[@@@@Β@ߒ@@8@}@@G@@Ք@.@@@@@@2@_@p@@ʖ@@@@s@*@N@g@ @Z@Z@@@@@r@@ؤ@@@<@@@ߥ@@@@&@5@Z@L@Z@t@@@@@@Z@Z@O@@Ȩ@֨@@@@@@,@9@D@Q@^@@@{@@@@@@@@@@@@@@˯@@@@@@@@@@@@@@@@@@@@@@ @@@@@@@@@@@ذ@@@@@;@@@@^@ '   '#7 #  !!)) !)014302!,&1066555555555555555555555555555555  1 !,"#-2.#*$%&'( ')"&!33))40144)2)/02)/+55555555555555555555555555555555556555555557755555555555565555555555 55755555555555RSSSSS&S5SSS5SSSS2SSC>*/S*SS=4S/SSS5@:87SM*        &(+,-% 1   >?\CDE  78:;ST[]0 H # >?@A')/0+ !,-789:;6H&$123K4NO*]RSTDVEXWY<ZIJ(LM')[\=^>?F@UA !5/E%  )*J0 ,1Q=X;%%(%%;<>K@P.BPC QG "#%. #-1!'*%&$#20,(+) /  "   !!"#$$%%%&&''(())))*****+,,--.. p'aP@9FlexLexer11yyFlexLexer(a[@@@@@j@r@`$@`$@`$@`$@`$@`$@p@z@҆@@؍@:@@Џ@F@@@ԅ@$@@HydrogenH1.0079414.0120.282.20HeliumHe4.0026020.954.2160.0LithiumLi6.941553.691118.150.98BerylliumBe9.01218155132431.57BoronB10.811257339312.04CarbonC12.011382051002.55NitrogenN14.0067463.2977.4OxygenO15.999454.890.193.44FluorineF18.99840353.5385.013.98NeonNe20.179727.1SodiumNa22.989768370.961156.10.93MagnesiumMg24.30592213631.31AluminumAl26.981539933.527401.61SiliconSi28.0855168326281.90PhosphorusP30.973762317.35532.19SulfurS32.066386717.8242.58ChlorineCl35.4527172.2238.63.16ArgonAr39.94883.887.3Potassium39.0983336.810470.82CalciumCa40.078111217571.00ScandiumSc44.95591181431041.36TitaniumTi47.88193335601.54Vanadium50.9415216036501.63ChromiumCr51.9961213029451.66ManganeseMn54.93805151722351.55IronFe55.847180830231.83CobaltCo58.9332176831431.88NickelNi58.6934172630051.91CopperCu63.5461356.62840ZincZn65.39692.7311801.65GalliumGa69.723302.9326761.81GermaniumGe72.611210.631032.01ArsenicAs74.9215910908762.18SeleniumSe78.96490958.1BromineBr79.904265.9331.92.96KryptonKr116.6120.85RubidiumRb85.4678312.2StrontiumSr87.6210421657YttriumY88.90585179536111.22ZirconiumZr91.224212546501.33NiobiumNb92.9063827415015MolybdenumMo95.94289048852.16TechnetiumTc97.907224455150RutheniumRu101.0725834173RhodiumRh102.9055223940002.28PalladiumPd106.4218253413SilverAg107.86821235.124851.93CadmiumCd112.411594.110381.69IndiumIn114.818429.3223531.78TinSn118.71505.125431.96AntimonySb121.760903.919082.05TelluriumTe52127.6722.712632.1IodineI126.90447386.7457.52.66XenonXe131.29161.3166.1CesiumCs132.90543301.6951.60.79BariumBa56137.327100219100.89LanthanumLa138.9055119437301.10CeriumCe140.115107236991.12PraseodymiumPr140.90765120437851.13NeodymiumNd144.24129433411.14PromethiumPm144.912714413000SamariumSm150.36135020641.17EuropiumEu151.96510951870GadoliniumGd157.25158635391.20TerbiumTb158.9253416293296DysprosiumDy162.5016852835HolmiumHo164.93032174729681.23ErbiumEr167.26180231361.24ThuliumTm168.93421181822201.25YtterbiumYb173.0410971466LutetiumLu174.967193636681.27HafniumHf178.4925035470TantalumTa180.9479326956981.5TungstenW183.84368059302.36RheniumRe186.20734535900OsmiumOs190.2333275300IridiumIr77192.2226834403PlatinumPt195.0820454100GoldAu196.966541337.5830802.54MercuryHg200.59234.28629.732.00ThalliumTl204.3833576.617301.62LeadPb207.2600.6520131.8BismuthBi208.98037544.518832.02PoloniumPo208.982412352.0AstatineAt209.9871575610RadonRn222.0176202211.4FranciumFr87223.01979500.7RadiumRa226.025497314130.9ActiniumAc227.0278132034701.1ThoriumTh232.038120285060ProtactiniumPa231.0358821134300UraniumU92238.02891405.540181.38NeptuniumNp237.0489134175PlutoniumPu244.064291435051.28AmericiumAm243.061412672880CuriumCm247.07031620n/aBerkeliumBkCaliforniumCf251.07961170EinsteiniumEs252.0831130FermiumFm257.09511800MendeleviumMd101258.11100NobeliumNo102259.1009LawrenciumLr262.11RutherfordiumRf[261]DubniumDb105[262]SeaborgiumSg106[266]BohriumBh107[264]HassiumHs108[269]MeitneriumMt109[268]UnunniliumUun110UnununiumUuu111[272]UnunbiumUub[277]UnuntriumUutUnunquadiumUuq114[289]UnunpentiumUupUnunhexiumUuh116UnunseptiumUus117UnunoctiumUuo118;4XFhKPXLL 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RJ@[ @Y w@ >@9 + h  2@   1@ " @9  (@M " @L]  ?@w  J@   m@  ;@#  ' !@'a j " D}@h  n@8  Y0@ #@  @   rG@ ' l  (m@x  5@G  $@  -@ @  a  @2  a8 J  @vi  @  p0@ a  h@p, z@WA F1@c t@z @U +a .@ @ >@[!`'aX![@/ @ P" @" j@ 0@|Rn#a'a" @@ >@9a t@= J@Th o@5 `@ l*@K*a F@n p@G" @3 I0@ >,@c b/@&`$@ .n@Ra" @@ V?@9 @ /@5! =@[=Q @@EB %'()+-AUATUSHHIHHtBHHP HGpHt HO`H4HHLh@LHPHHAHtHk8H[]A\A]HHSHH0HH@L u1u,HC0HHRT u[HHcH8HÐSHHt4HGpHtHW`HH;0uH{$t H{H[ÐSHHHHtH{(HCpHt HS`H4HH{pH[ÐSHH[ÐHHw0HW8HGHGPGTGGGXLJLJLJLJLJG GHG(HGpHG`HGhHLJAVAUATUSHHW`HGpHHhLoHcGDHDH9GHv HPXHS`HCpHЃx8uHCHH+CH.LcHL+cAE~ATTHA9HS`HCpHЃz<uCDB EDBHCpHt HS`H,H}LsHI)}$t:HEHHHHEHHEHEHpHEHuHEHHPXMcLuLsHHS`HCpHDB`H = NHs`HCpHIcHpHQHCDyHHPXHS`HCpHЋSDP A{Du0EuHHs0HP(AHS`HCpH@<ASDB"Hs`HKpH,HcH;Mv5HcH}HEHS`HCpHHxuHHPXDcDDcDHS`HCpHMcH@B HS`HCpHHcCDHRDHS`HCpHH@HCD[]A\A]A^ËGTLOLWHM9A t Hcf t&GxLH5~ Hc DDHc69uDIM9uÐHWHHcft wxHHcЃHc9t+Hc6HcЃHc9u՘5DÐAUATUSHHAIHoHG@EHW`HGpHHrHFH9suHBHLGDHHH9sHHHs`HSpHH9BrH)HcHIHBCDB HS`HCpHH@HH9sHHPXDmLcEC@HHkHH[]A\A]ATUSHHGHW@HoH}HW`HGpHHcGDHBH9sEfLgHEHGHttuG7HHs0HP(HHP@uJ{Xu HHs0HP(H2L)HcHCHCHHSHHSHHJHKHRS@[]A\ÐHW`HGpHH@ GDHH@HGHHGHHHW0G@ÐHtDF HFHF@HFHFF,F<HGpHtHW`H;4uÐAVAUATUSHHIID(HHL3C8HEpHt HU`HH9tC0C4C(E,$[]A\A]A^AUATUSHHIAտ@HHuHEHPXIcHCHxHCHuHEHPXC$LHHHH[]A\A]ÐSHHGpHtWHW`H4HtJHP HS`HCpHHC`HtHHC`HCpHtHS`H<tHCX[USHHHpHu?@HCpHuHHPXHCpHHChHC`HChHPH9S`HcH4HCpHuHHPXHShHCpHHǺ@t Hx?@t fH@t HɸHt Ht fHtHkhH[]AWAVAUATUSHIPGPTuGTI|$0u ID$0I|$8u ID$8ID$pHt IT$`H<u-LIT$`ID$pHI$It$0@LPHLIIl$HAD$@EA\$TIEHcft*A\$xI$Hc5~ HcHc 9u҉HHcfSuHcuI$IcD$xMl$HHL)AT$UAT$@EIl$H!$AD$@EI$A\$xMl$LHHHH-t3HcË,tHcH4Lu؅uLHcH4It$HHHHHfe ~mI|$HHHH @/MD$LǸHHHH LIT$H׸HHHHH IT$H׸HHHH/HHI|$ HHx  IT$H׸HHHHHz  It$HHHHH HHHHHЉ It$HHHHH HHHHH؉ 9IT$HH׸HHH HHHD I|$  IT$HH׸HHH HHHD I|$ ؉ I|$HHHHXI|$HHHH+ I|$HHHHI|$HHHHI|$HHHHqI|$HHHHDI|$HHHHI|$LHHH%I$AT$It$LPP IM+|$AAD$@EIT$`ID$pHHz<u(R AT$DHIT$0HIT$`ID$pH@<IT$`ID$pHIcD$DHBI9D$HwGIcID$ID$HLÉLMl$tI|$HHoIl$HuIl$HLt5fZAD$XI$LP@t#ID$ID$HAD$T!A|$XI$It$0LP(IcID$ID$HLIl$HMl$IT$`ID$pHIcD$DHBID$HLIl$HMl$#I$LPXjH[]A\A]A^A_ÐATUSHHHGpHt HW`H<u8HHS`HCpL$HHs0@HPI$HCpHtHS`H4HHH[]A\USHHHHCpHt_HS`HH9tWHt0HCHS@HS`HCpHHSHHPHS`HCpHЋSDP HS`HCpH,HCXHuH[]ÐUSHHHtHHCpHtWHS`H<tLHCHS@HS`HCpHHSHHPHS`HCpHЋSDP HCpHtHS`H<tHHS`HS`H,HCXH[]USHHG 9G|EG HH4H(HuHHC( HC(H{(uHHPXHS(CHKHcȋCTD-CTH[]SHGGy HPXHcSHC(DCT[HcWHG(DHHHHHHHH=HP0HH--HS@HH@HHu{8tCCHH HP0H1HH@HHu{8tCCHH HP0H@HH@HHu{8tCCHH HP0HFHH@HHu{8tCCHH HP0HHH@HHu{8tCCHH HP0H9HH@HHu{8tCCHH HP0H4HH@HHu{8tCCHH HP0H[USHHHӉHt4HHu%HHHHHw HcɈ\ D H[]AWAVAUATUSH4L$IL$8H$84HHL)HD H@H9uHD$hfD$pH$Ll$pALMMnfAnH$I9r uHT$pHI9K O HcDA=u =w HAAhIc9McALs@C@CDCHHHCPHHCXHHC`HHChCpCtH{xHc HcDAƾ)HcHHދD$0FD$4FD$8HFHD$@HFHD$HHF HD$PHF(HD$XF0D$`F4D$dH8H|$h2 $CCHCHHCHHC HHC(HC0C4Hs8J CCHCHHCHHC HHC(HC0C4Hs8D$0CD$4CD$8HCHD$@HCHD$HHC HD$PHC(HD$XC0D$`C4D$dHs8H|$htHs H D$0D$4D$8HHD$@HHD$HH HD$PH(HD$X0D$`4D$dH8H|$hHs H D$0D$4D$8HHD$@HHD$HH HD$PH(HD$X0D$`4D$dH8H|$h\CD$0CĉD$4CD$8HCHD$@HCHD$HHCHD$PHCHD$XCD$`CD$dHsH|$hHs8H$4HD$PHxH$4H$4HxHt5HPHt  PJHЅ H$ 4HD$PCx H{ H|$PcH{ H|$PEH|$h L$8CD$0CĉD$4CD$8HCHD$@HCHD$HHCHD$PHCHD$XCD$`CD$dHsH|$hH|$hCD$8HH|$hCD$8{CD$8k*D$8\CD$8LCfWD$84*D$8%*fWD$8H{8H0HS(H(HHPH@x HD$PHsH|$XHH@H@HD$XHpH;ptHtHSHH@VHSHED$0CD$4CD$8HCHD$@HCHD$HHC HD$PHC(HD$XC0D$`C4D$dHs8H|$hSHD$HP @D$0CD$4CD$8HCHD$@HCHD$HHC HD$PHC(HD$XC0D$`C4D$dHs8H|$hSKHD$HH PhD$0CD$4CD$8HCHD$@HCHD$HHC HD$PHC(HD$XC0D$`C4D$dHs8H|$h  HSH@@ @@HD$HS4P SHKHP@ @@HD$HS4PHCHD$@HCHD$@@ oD$dbD$dUD$dHD$d;D$0.D$0!D$0D$0 D$0CD$0CĉD$4CD$8HCHD$@HCHD$HHCHD$PHCHD$XCD$`CD$dHsH|$h(HSf@@@@@ HHPHD$@\;u"HS0H|$H|$(INjD$ Hs0ID$ AGAGAG IIGL|$@CD$0CD$4CD$8HCHD$@HCHD$HHCHD$PHCHD$XCD$`CD$dHsH|$hSHD$@PHSHrHCHD$@PbD$0XD$0CD$4CD$8HCHD$@HCHD$HHC HD$PHC(HD$XC0D$`C4D$dHs8H|$hELHH)HMM)MH[@D$0G@D$4GDD$8GHHD$@HGPHD$HHGXHD$PHG`HD$XHGhD$`GpD$dGtHxHt$hHcAMHchwHcff9uHcHII9uHD$hHxHt5HPHt  PJHЅ H$ 4H$84Il$8AHL)HHxHt0HPMt  PJHЅ H$ 4H@H9uwHH$4HxH$ 4HHD$hHxH$4HH$84Ml$8HL)HHH$4H@L9uHH4[]A\A]A^A_AWAVAUATUSHHIHÿIHu IĿIHu IHD$HD$D$ H|$0HH|$HLuMtCIAAHH|$HcLLDHHH9rѾhH|$Ht /vH|$Ht MH$LH$H$H$H$HxH$8HúH$HHH$lH|$HŃ=u!IAnLd$8DD$P4$H=H=yH5HbH5H$H$HVHH$HxH$9'HHT$0H=LH$ H$ HVHH$ HxH$:H=H=qH=[H=EH=(! HH|$HHHH9@H=H5HH5H$0H$0HVHH$0HxH$;HT$0H=H=H=H=|Mu;HH8Ht Hp Ll$D$HH|$LHHH9rH5HH$HxH$<oHH$]HH$HxH$=?HH$ HxH$>!HH$0HxH$?HH|$0HH|$0HH[]A\A]A^A_HHHHHHHHHG8HxHt:HPHt  PJHЅHHt$HSHH?H{H;H{H[fatal flex scanner internal error--end of buffer missedfatal error - scanner input buffer overflowout of dynamic memory in yy_get_next_buffer()flex scanner push-back overflowout of dynamic memory in yy_create_buffer()out of dynamic memory in yyensure_buffer_stack()fatal flex scanner internal error--no action foundout of memory expanding start-condition stackstart-condition stack underflow (c) Georges Khaznadar . This program is free, licensed under G.P.L. Usage : chemeq [-m] [-l] [-c] [-w] [-C] [-n] [-e] [-s] [-v] [-h] default is equivalent to 'chemeq -mlcwCn' chemeq reads its standard input which must be a standard chemical equation. 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std::ostream & Compteur::operator << (std::ostream & o)const{ const_iterator i=begin(); while (i != end()){ o << i->first << " : " << i->second; if (++i != end()) o << " "; } return o; } std::ostream & operator << (std::ostream & o, const Compteur & c){ return c.operator << (o); } double AtomeListe::weight(fraction mult)const{ const AtomeListe * al; double w=0.0; if(Zed!=0 && Zed!=-1 ){ /* cas où ce n'est pas un groupe ou un électron */ w=mendelweight(symb)*nb*mult.i/mult.d; } else if (Zed==0){ /* cas d'un groupe */ if (group) w+=group->weight(mult*nb); } if (suiv) w+=suiv->weight(mult); return w; } void AtomeListe::compte(Compteur &c, fraction mult)const{ const AtomeListe * al; if(Zed!=0 && Zed!=-1 ){ /* cas où ce n'est pas un groupe ou un électron */ std::string key(symb); c[key] +=1.0*nb*mult.i/mult.d; } else if (Zed==0){ /* cas d'un groupe */ if (group) group->compte(c,mult*nb); } if (suiv) suiv->compte(c,mult); } void AtomeListe::numerote(int n){ if(Zed!=0){ /* cas où ce n'est pas un groupe */ no = n; } else if (Zed==0){ /* cas d'un groupe */ no = n; if (group) group->numerote(); } if (suiv) suiv->numerote(n+1); } AtomeListe * AtomeListe::triage(AtomeListe * al){ AtomeListe * al1; if(al->Z()!=0){ /* cas où ce n'est pas un groupe */ if (al->suiv){ al->suiv = triage(al->suiv); } while (al->suiv && al->suiv->Zed!=0 && strcmp(al->symbole(), al->suiv->symbole()) > 1){ al1=al; al=al->suiv; al1->suiv=al->suiv; al->suiv=triage(al1); } } else{ /* cas d'un groupe */ if (al->groupe()) al->groupe(triage(al->groupe())); } return al; } bool AtomeListe::isEqual(const AtomeListe & a2) const { std::stringstream s1, s2; printnorm(s1); a2.printnorm(s2); return s1.str() == s2.str(); } void AtomeListe::printcount(std::ostream & o, const fraction& n, int multiple=1) const{ if(Zed!=0){ /* cas où ce n'est pas un groupe */ o << symb; o << ':' << n << '*' << multiple*nb; } else{ /* cas d'un groupe */ if (group) group->printcount(o,n,nb); } if (suiv) {o << ' '; suiv->printcount(o,n,multiple);} } void AtomeListe::printnorm(std::ostream & o) const{ if (sqbr) o << "["; if(Zed!=0){ /* cas où ce n'est pas un groupe */ o << symb; if (nb!=1) o << nb; } else{ /* cas d'un groupe */ o << "("; if (group) group->printnorm(o); o << ")" << nb; } if (suiv) suiv->printnorm(o); if (sqbr) o << "]"; } std::ostream & operator << (std::ostream & o, const AtomeListe & l){ int n; const AtomeListe * al; if (l.sq()) o << "["; if(l.Z()>0 || l.Z()<-1){ o << "\\mathrm{" << l.symbole() << "}"; } else if (l.Z()==-1){ // cas de l'électron o << "\\mathrm{e}"; } else{ // cas des groupes parenthésés o << "("; if((al=l.groupe())) o << *al; o << ")"; } if((n=l.getmolecularite())>1) o << "_{" << n << "}"; if((al=l.suivant())) o << *al; if (l.sq()) o << "]"; return o; } const char* moltypeStr[] = { "aq", "g", "s" }; const std::string Molec::signature()const{ std::ostringstream o; o << liste(); if (charge()){ o << "^{"; if(fabs(1.0*charge())!=1) o << fabs(1.0*charge()); if(charge()>0) o << "+}"; else o << "-}"; } if (t != aqueous) o << moltypeStr[t]; return std::string (o.str()); } bool Molec::printcount(std::ostream & o, bool first) const{ if (!first) o << ", "; first=false; printnorm(o); o << '|'; al-> printcount(o,nb); return first; } bool Molec::printelec(std::ostream & o, bool first) const{ if (!first) o << ", "; first=false; printnorm(o); o << '|'; o << nb << '*' << ch; return first; } bool Molec::printspecies(std::ostream & o, bool first) const{ if (!first) o << ", "; first=false; printnorm(o); return first; } void Molec::printnorm(std::ostream & o)const{ if (nb!=1) o << nb << " "; al-> printnorm(o); if (ch) { o << "^"; if(fabs(1.0*ch)!=1) o << fabs(1.0*ch); if(ch>0) o << "+"; else o << "-"; } if (!iswater() && !iselectron()) o << "_" << moltypeStr[t]; } void Molec::coeff( fraction f){ nb.i *= f.i; nb.d *= f.d; nb.simplifie(); } bool Molec::printNernst(std::ostream & o, const char * prefix){ switch(t){ case sol : return 0; case aqueous : if (iswater() || iselectron()) return 0; o << prefix << "[" << *al; if (ch){ o << "^{"; if(fabs(1.0*ch)!=1) o << fabs(1.0*ch); if(ch>0) o << "+}"; else o << "-}"; } if (t != aqueous) o << "_{" << moltypeStr[t] << "}"; o <<"]"; if (nb!=1) { o << "^{"; printNombre(o); o << "}"; } return 1; case gas : o << prefix << "P_{" << *al << "}"; if (nb!=1) { o << "^{"; printNombre(o); o << "}"; } return 1; } } bool Molec::printNernstWIMS(std::ostream & o, bool wantedlatex){ if (iswater() || iselectron()) { return false; } switch(t){ case sol : { return false; } case aqueous : if(wantedlatex){ o << "[" << *al; }else{ o << "["; al->printnorm(o); } if (ch){ if(wantedlatex){ o << "^{"; }else{ o << "^"; } if(fabs(1.0*ch)!=1) o << fabs(1.0*ch); if(wantedlatex){ if(ch>0) o << "+}"; else o << "-}"; }else{ if(ch>0) o << "+"; else o << "-"; } } o <<"]"; if (nb!=1) { if(wantedlatex){ o << "^{"; if (nb.d==1){ o << nb.i ; } else { o << "\\frac{" << nb.i << "}{" << nb.d << "}"; } o << "}"; }else{ o << "^" << nb; } } return true; case gas : if(wantedlatex){ o << "P_{" << *al << "}"; }else{ o << "P_"; al->printnorm(o); } if (nb!=1) { if(wantedlatex){ o << "^{"; if (nb.d==1){ o << nb.i ; } else { o << "\\frac{" << nb.i << "}{" << nb.d << "}"; } o << "}"; }else{ o << "^" << nb; } } return true; } return false; } bool Molec::iswater()const{ if (t != aqueous) return 0; if (signature()==std::string("\\mathrm{H}_{2}\\mathrm{O}") || signature()==std::string("\\mathrm{O}\\mathrm{H}_{2}")) return 1; else return 0; } bool Molec::iselectron()const{ return (signature()==std::string("\\mathrm{e}^{-}")); } fraction Molec::nbelectron()const{ if (iselectron()) return nb; else return fraction(0); } void Molec::add(fraction f){ nb = nb+f; } void Molec::sub(fraction f){ nb = nb-f; } void Molec::printNombre(std::ostream & o)const{ if (nb.d==1){ o << nb.i << "\\,"; } else { o << "\\frac{" << nb.i << "}{" << nb.d << "}\\,"; } } std::ostream & operator << (std::ostream & o, const Molec & m){ if (m.nombre() != 1) m.printNombre(o); o << m.liste(); if (m.charge()){ o << "^{"; if(fabs(1.0*m.charge())!=1) o << fabs(1.0*m.charge()); if(m.charge()>0) o << "+}"; else o << "-}"; } if (m.typage() != aqueous && ! m.iselectron()) o << "_{" << moltypeStr[m.typage()] << "}"; return o; } int Membre::findMol(const Molec * m){ // returns the index of a molecule with the same atomlist if any // else returns -1. int result=-1; for(int i=0; ieqMol(m)) result=i; } return result; } void Membre::addMol(const Molec * m){ int i = findMol(m); if (i < 0){ push_back(new Molec(*m)); } else { (*this)[i]->add(m->nombre()); } } void Membre::addMembre(const Membre * m){ for(int i=0; isize(); i++){ addMol((*m)[i]); } } void Membre::eraseNull(){ Membre m(*this); clear(); for(int i=0; i < m.size();i++){ if (m[i]->nombre().i>0) push_back(m[i]); } } void Membre::compte(Compteur & c)const{ for(int i =0; i < size(); i++){ operator [] (i)->compte(c); } } void Membre::numerote(){ for (int i=0; i < size(); i++){ operator [](i)->numero(i); operator [](i)->liste().numerote(); } } void Membre::triage(){ int i,j; for (i=0; i < size(); i++){ operator [](i)->triage(); } for (i=0; i < size(); i++){ for (j=i+1; j < size(); j++){ if (operator [](i)->signature() > operator [](j)->signature()){ Molec * m = operator [](i); operator [](i) = operator [](j); operator [](j) = m; } } } } void Membre::printcount(std::ostream & o) const{ bool first=true; for(int i=0; i < size(); i++){ first=operator[](i)->printcount(o,first); } } void Membre::printelec(std::ostream & o) const{ bool first=true; for(int i=0; i < size(); i++){ first=operator[](i)->printelec(o,first); } } void Membre::printspecies(std::ostream & o) const{ bool first=true; for(int i=0; i < size(); i++){ first=operator[](i)->printspecies(o,first); } } void Membre::printnorm(std::ostream & o) const{ for(int i=0; i < size(); i++){ operator[](i)->printnorm(o); if (i < size()-1) o << " + "; } } void Membre::printweight(std::ostream & o) const{ for(int i=0; i < size(); i++){ o << operator[](i)->weight(); if (i < size()-1) o << " "; } } void Membre::coeff( fraction f){ for (int i=0; icoeff(f); } int Membre::printableNernst(){ int result=0; for (int i=0; itypage() != sol && !operator[](i)->iswater() && !operator[](i)->iselectron()) result =1; } return result; } bool Membre::redox()const{ for (int i=0; iiselectron()) /* c'est un électron */ return 1; } return 0; } fraction Membre::nbelectron()const{ fraction result(0); for(int i = 0; inbelectron(); return result; } void Membre::printNernst(std::ostream & o){ bool printed = 0; const char * prefix=""; for (int i=0; i0) prefix="\\,"; if (operator[](i)->printNernst(o, prefix)){ printed = 1; } } if (!printed) o << "1"; } void Membre::printNernstWIMS(std::ostream & o, bool wantedlatex){ bool printed = false; bool addcomma = false; for (int i=0; iprintNernstWIMS(w,wantedlatex)){ if (addcomma) o << ", "; o << w.str(); printed = true; addcomma = true; } else { addcomma = false; } } if (!printed) o << "1"; } std::ostream & operator << (std::ostream & o, const Membre & m){ for(int i=0; i < m.size()-1; i++){ o << *m[i] << "\\,+\\,"; } o << *m[m.size()-1]; return o; } Membre operator & (Membre & m1, Membre & m2){ Membre result; //result.printnorm(std::cout); fraction min(1); for(Membre::iterator i = m1.begin(); i < m1.end(); i++){ for(Membre::iterator j = m2.begin(); j < m2.end(); j++){ if ((*i)->eqMol(*j)){ Molec *m = new Molec(**i); if ((*i)->nb > (*j)->nb){ min=(*j)->nb; }else{ min=(*i)->nb; } m->nb=min; result.push_back(m); } } } return result; } Membre operator - (Membre & m1, Membre & m2){ Membre result; fraction diff(1); for(Membre::iterator i = m1.begin(); i < m1.end(); i++){ Molec *m = new Molec(**i); for(Membre::iterator j = m2.begin(); j < m2.end(); j++){ if ((*i)->eqMol(*j)){ diff=(*i)->nb - (*j)->nb; m->nb=diff; } } result.push_back(m); } return result; } bool Chemeq::valdefined()const{ return val > MINVAL; } void Chemeq::addChemeq(const Chemeq * c){ if (valdefined() && c->valdefined()){ long double e1=enthalpy(), e2=c->enthalpy(); fraction n1=nbelectron(), n2=c->nbelectron(); long double e = e1+e2; fraction n=n1+n2; if (n.i==0) val=exp(-e/R/T0); else val=-e*n.d/n.i/Faraday; } else { val=MINVAL; } gauche->addMembre(c->gauche); droit->addMembre(c->droit); simplifie(true); } void Chemeq::subChemeq(const Chemeq * c){ if (valdefined() && c->valdefined()){ long double e1=enthalpy(), e2=c->enthalpy(); fraction n1=nbelectron(), n2=c->nbelectron(); long double e = e1-e2; fraction n=n1-n2; if (n.i==0) { val=exp(-e/R/T0); } else{ val=-e*n.d/n.i/Faraday; } } else { val=MINVAL; } gauche->addMembre(c->droit); droit->addMembre(c->gauche); simplifie(true); } long double Chemeq::enthalpy() const{ fraction n=nbelectron(); if (redox()){ return -val*n.i/n.d*Faraday; } else { return -R*T0*log(val); } } void Chemeq::simplifie(bool tri=false){ Membre communs(*gauche & *droit); if (communs.size()>0){ Membre * g, *d; g= new Membre(*gauche - communs); d= new Membre(*droit - communs); delete gauche; delete droit; gauche=g; droit =d; } gauche->eraseNull(); droit->eraseNull(); if (tri){ numerote(); triage(); } } void Chemeq::printnorm(std::ostream & o){ gauche->printnorm(o); o << " -> "; droit->printnorm(o); if (val>MINVAL){ o << " ("; if (cste!=std::string("")) o << cste << " = "; o << val; if (redox()) o << " V"; o << ")"; } } void Chemeq::printcount(std::ostream & o) const { gauche->printcount(o); o << "; "; droit->printcount(o); } void Chemeq::printelec(std::ostream & o) const { gauche->printelec(o); o << "; "; droit->printelec(o); } void Chemeq::printspecies(std::ostream & o) const { gauche->printspecies(o); o << "; "; droit->printspecies(o); } void Chemeq::printweight(std::ostream & o) const{ gauche->printweight(o); o << " "; droit->printweight(o); } std::string Chemeq::equilibre(){ std::ostringstream s; Compteur cpg, cpd; gauche->compte(cpg); droit->compte(cpd); if(cpg==cpd) s << "OK"; else s << "ERROR " << cpg << " / " << cpd; return std::string(s.str()); } void Chemeq::coeff1(){ fraction mult = gauche->operator[](0)->nombre(); mult.inverse(); gauche->coeff(mult); droit->coeff(mult); simplifie(); if (!redox() && valdefined()){ val = val*mult.i/mult.d; } } void Chemeq::multiply(int num, int den){ fraction mult(num,den); gauche->coeff(mult); droit->coeff(mult); simplifie(); if (!redox() && valdefined()){ val = val*mult.i/mult.d; } } bool Chemeq::redox()const{ return gauche->redox() || droit->redox(); } void Chemeq::printNernst(std::ostream & o, std::ostream & w, bool wantedlatex){ Membre * ga, * dr; if (!redox()){ if (gauche->printableNernst()){ o << "\\frac{"; droit->printNernst(o); o << "}{"; gauche->printNernst(o); o << "}"; } else { droit->printNernst(o); } droit->printNernstWIMS(w,wantedlatex); w << "; "; gauche->printNernstWIMS(w,wantedlatex); if (val > MINVAL) { o << "\\,=\\,"; if (cste!=std::string("")) o << cste << "\\,=\\,"; o << valeur_latex(); if(wantedlatex){ w << "; " << valeur_latex(); }else{ w << "; " << val; } } else{ o << "\\,=\\,K"; w << "; K"; } } else{ /* c'est une réaction redox */ o << "E\\,=\\,"; if(wantedlatex){ w << "E\\,=\\,"; }else{ w << "E="; } if (val > MINVAL) { o << val; w << val << ";"; } else{ o << "E_{0}"; if(wantedlatex){ w << "E_{0};"; }else{ w << "E0;"; } } o << "\\,+\\,\\frac{R\\,T}{"; o << gauche->nbelectron()+droit->nbelectron() << "\\,F}"; o << "\\log"; w << gauche->nbelectron()+droit->nbelectron() << ";"; if (gauche->redox()){ /* c'est une réduction */ ga=gauche; dr=droit; } else{ /* c'est une oxydation */ ga=droit; dr=gauche; } if (dr->printableNernst()){ o << "\\frac{"; ga->printNernst(o); o << "}{"; dr->printNernst(o); o << "}"; } else { o << "("; ga->printNernst(o); o << ")"; } // implanter la sortie pour Wims ici. dr->printNernstWIMS(w,wantedlatex); w << "; "; ga->printNernstWIMS(w,wantedlatex); } } std::string Chemeq::valeur_latex()const{ std::ostringstream so; so << val; std::string s(so.str()); std::string::size_type epos=s.find('e',0); if (epos!=std::string::npos){ s.erase(epos,1); s.insert(epos,"\\times 10^{"); s=s+"}"; } return (std::string) s; } std::ostream & operator << (std::ostream & o, const Chemeq & c){ o << *c.membregauche() << "\\,\\longrightarrow\\," << *c.membredroit(); if (c.valeur() > MINVAL) { o << "\\,("; if (c.constante()!=std::string("")) o << c.constante() << "\\,=\\,"; o << c.valeur_latex(); if (c.redox()) o << " V"; o << ")"; } return o; } std::ostream & operator << (std::ostream & o, fraction f){ o << f.i; if (f.d!=1) o << '/' << f.d; return o; } fraction operator * (fraction f, int m){ fraction result = fraction(f.i*m, f.d); result.simplifie(); return result; } fraction operator * (int m, fraction f){ fraction result = fraction(f.i*m, f.d); result.simplifie(); return result; } fraction operator * (fraction f, fraction m) { fraction result = fraction(f.i*m.i, f.d*m.d); result.simplifie(); return result; } fraction operator + (fraction f, fraction g){ fraction result = fraction(f.i*g.d+g.i*f.d, f.d*g.d); result.simplifie(); return result; } fraction operator - (fraction f, fraction g){ fraction result = fraction(f.i*g.d-g.i*f.d, f.d*g.d); result.simplifie(); return result; } const fraction & minFraction(const fraction& f1, const fraction &f2){ if (f1.i*f2.d > f2.i*f1.d) return f1; else return f2; } void fraction::simplifie(){ int maxprem = 23; int premiers[]={2,3,5,7,11,13,17,19,23,29}; int n; for (n=0; premiers[n]<= maxprem; n++){ while (i % premiers[n] == 0 && d % premiers[n] == 0){ i /= premiers[n]; d /= premiers[n]; } } } bool operator > (fraction f, int i){ return f.i > f.d*i; } bool operator > (fraction f1, fraction f2){ return f1.i*f2.d > f1.d*f2.i; } bool operator != (fraction f, int i){ return f.i != f.d*i; } double mendelweight(int i){ if (i>=0) return strtod (table[i].info[WEIGHT],0); else return 0.0; } int findmendel(const char * symb){ int i=0; while (table[i].info[0] && strcmp(table[i].info[SYMBOL], symb) != 0) i++; if (table[i].info[0]) return i; else return -1; } double mendelweight(const char * symb){ int i; i = findmendel(symb); return mendelweight(i); } chemeq-2.12.orig/src/TODO0000644000175000017500000000000011222350021015266 0ustar georgeskgeorgeskchemeq-2.12.orig/src/chemeq.h.in0000644000175000017500000002077112161550077016657 0ustar georgeskgeorgesk// -*- coding: utf-8 -*- #ifndef CHEMEQ_H #define CHEMEQ_H #include #include #include #include #include #include #define VERSION "2.11" /* Constante d'Avogadro, recommandée par CODATA, 2006 */ #define Avogadro 6.022141e+23 /* Charge élémentaire, voir wikipedia, 2007 */ #define Electron 1.602176e-19 /* Constante de Boltzmann, voir Wikipedia, 2007 */ #define Kb 1.3806e-23 /* D'où la constante de Faraday */ #define Faraday (Avogadro * Electron) /* D'où la constante des Gaz parfaits 8.314 J.K^-1.mol^-1 */ #define R (Kb * Avogadro) /* Température de référence pour les réactions chimiques, 25°C */ #define T0 (273.15+25) /* MINVAL est une valeur impossible tant pour un potentiel standard */ /* que pour une constante d'équilibre */ #define MINVAL -999 typedef struct { int Zed; char symb[4]; } atome; extern atome lesatomes[]; typedef std::pair AtomeCompte; class Compteur : public std::map{ public: std::ostream & operator << (std::ostream & o)const; }; std::ostream & operator << (std::ostream & o, const Compteur & c); class Chemeq; class fraction{ public: int i; int d; fraction(int numerateur, int denominateur=1):i(numerateur),d(denominateur){}; void inverse(){int n=i; i=d; d=n;}; void simplifie(); }; const fraction & minFraction(const fraction&, const fraction &); std::ostream & operator << (std::ostream & o, fraction f); fraction operator * (fraction f, int m); fraction operator * (int m, fraction f); fraction operator * (fraction f, fraction m); fraction operator + (fraction f, fraction g); fraction operator - (fraction f, fraction g); bool operator > (fraction f, int i); bool operator > (fraction f1, fraction f2); bool operator != (fraction f, int i); class AtomeListe{ AtomeListe * suiv, *group; char symb[4]; int Zed, nb, no, sqbr; public: AtomeListe(const char* nom, int num, AtomeListe * s=0, AtomeListe * g=0){ strncpy(symb,nom,3); Zed=num; nb=1; sqbr=0; /* sqbr == 1 quand il y a un square bracket */ suiv = s; group=g; }; AtomeListe(const AtomeListe & a): suiv(a.suiv), group(a.group), Zed(a.Zed), nb(a.nb), sqbr(a.sqbr){ strncpy(symb,a.symb,3); }; const char * symbole() const{return symb;}; int Z()const{return Zed;}; int sq()const{return sqbr;}; void sq(int val){sqbr=val;}; void numerote(int n=0); void setmolecularite(int n){nb=n;}; int getmolecularite()const{return nb;}; AtomeListe * groupe(){return group;}; void groupe(AtomeListe * al){group= al;}; const AtomeListe * suivant()const{return suiv;}; const AtomeListe * groupe()const{return group;}; void setsuivant(AtomeListe * s){suiv=s;}; void compte (Compteur &c, fraction mult=fraction(1,1))const; double weight(fraction mult=fraction(1,1))const; static AtomeListe * triage(AtomeListe * al); void printcount(std::ostream & o, const fraction&, int multiple) const; void printnorm(std::ostream & o) const; bool isEqual(const AtomeListe & a2) const; void debug(int decal = 0)const{ for (int i=0; i< decal; i++) std::cout << " "; std::cout << "AtomeListe : ( & = " << this << " symb=\"" << symb << "\" Zed = " << Zed << " nb = " << nb << " no = " << no << " suiv = " << suiv << " group = " << group << ")\n"; if(group) group->debug(2+decal); if(suiv) suiv->debug(decal); }; }; typedef enum { aqueous, gas, sol } moltype; extern const char* moltypeStr[]; /* les chaînes aq, g,s */ class Membre; class Molec{ AtomeListe * al; int ch; fraction nb; int no; moltype t; public: Molec(AtomeListe * a, int c = 0, int n=1, int d=1): al(a), ch(c), nb(n,d), t(aqueous){}; Molec(const Molec & m): al(m.al), ch(m.ch), nb(m.nb.i,m.nb.d), t(m.t) {} AtomeListe & liste()const{return *al;}; int charge()const{return ch;}; bool eqMol(const Molec * m) const { return (al->isEqual(*(m->al))) && (ch== m->ch); } void nombre(int n, int d=1){nb=fraction(n,d);}; fraction nombre()const{return nb;}; void add(fraction f); void sub(fraction f); moltype typage()const{return t;}; void typage(moltype at){t=at;}; void numero(int n){no=n;}; int numero()const{return no;}; void triage(){al = AtomeListe::triage(al);}; void compte(Compteur & c)const{if (al) al->compte(c,nb);}; double weight(void)const{if (al) return al->weight(nb); else return 0.0;}; const std::string signature()const; void printNombre(std::ostream & o)const; bool printcount(std::ostream & o, bool first) const; bool printelec(std::ostream & o, bool first) const; bool printspecies(std::ostream & o, bool first) const; void printnorm(std::ostream & o)const; void printweigh(std::ostream & o)const; void coeff( fraction f); bool printNernst(std::ostream & o, const char * prefix =""); bool printNernstWIMS(std::ostream & o, bool wantedlatex); bool iswater()const; bool iselectron()const; fraction nbelectron()const; void debug(int decal = 0)const{ for (int i=0; i < decal; i++) std::cout << " "; std::cout << "Molec : ( " << this << " charge = " << ch << " nombre = " << nb << " no = " << no; al->debug(decal+2); std::cout << ")\n"; }; // two Molecs are equal if the AtomLists and the charges are equal. friend Membre operator & (Membre & m1, Membre & m2); friend Membre operator - (Membre & m1, Membre & m2); }; std::ostream & operator << (std::ostream & o, const AtomeListe & l); std::ostream & operator << (std::ostream & o, const Molec & m); class Membre : public std::vector{ public: int findMol(const Molec *); void addMol(const Molec *); void addMembre(const Membre *); void eraseNull(); void compte(Compteur & c)const; void numerote(); void triage(); void printnorm(std::ostream & o) const; void printcount(std::ostream & o) const; void printelec(std::ostream & o) const; void printspecies(std::ostream & o) const; void printweight(std::ostream & o) const; void coeff( fraction f); void printNernst(std::ostream & o); void printNernstWIMS(std::ostream & o, bool wantedlatex); int printableNernst(); bool redox()const; fraction nbelectron()const; void debug(int decal = 0)const{ for (int i=0; i < decal; i++) std::cout << " "; std::cout << "Membre : ( " << this; for (int j=0; j < size(); j++){ std::cout << j << " :\n"; operator[](j)->debug(decal+2); } std::cout << "\n"; } }; // intersection between two Membres Membre operator & (Membre & m1, Membre & m2); // members of first set which are not in the second Membre operator - (Membre & m1, Membre & m2); std::ostream & operator << (std::ostream & o, const Membre & m); class Chemeq{ Membre * gauche, * droit; std::string cste; long double val; public: Chemeq(Membre * g, Membre * d) : gauche (g), droit(d), val(MINVAL){}; const Membre * membredroit()const{return droit;}; const Membre * membregauche()const{return gauche;}; void addChemeq(const Chemeq *); void subChemeq(const Chemeq *); void simplifie(bool tri); void numerote(){gauche->numerote(); droit->numerote();}; void triage(){gauche->triage(); droit->triage();}; /* ajuste le coefficient pour qu'il y ait 1 mol du premier réactif */ void coeff1(); /* mutiplie par la fraction num/den */ void multiply(int num, int den); fraction nbelectron()const{return gauche->nbelectron()-droit->nbelectron();}; /* renvoie val ou nbelectron()*Faraday*val */ long double enthalpy() const; void normalise(){numerote(); triage(); coeff1();}; void printnorm(std::ostream & o); void printcount(std::ostream & o) const; void printelec(std::ostream & o) const; void printspecies(std::ostream & o) const; void printweight(std::ostream & o) const; void printNernst(std::ostream & o, std::ostream & w, bool wantedlatex=false); std::string equilibre(); bool redox()const; const std::string constante()const{ return cste;}; void constante (const std::string s) { cste = s;}; bool valdefined()const; double valeur()const{return val;}; std::string valeur_latex()const; void valeur(double r){val=r;}; }; std::ostream & operator << (std::ostream & o, const Chemeq & c); //struct taken from Kyle Burton's gperiodic /* structure to hold element data, as initialized from the static * mendeleiev.c */ enum info_types { NAME, SYMBOL, NUMBER, WEIGHT, MELTING, BOILING, PAULING, MAX_INFO_NR /* Has to be the last element */ }; struct table_entry { const char *info[MAX_INFO_NR]; }; extern struct table_entry table[]; double mendelweight(int i); int findmendel(const char * symb); double mendelweight(const char * symb); #endif chemeq-2.12.orig/src/mendeleiev.o0000644000175000017500000014723012244451025017127 0ustar georgeskgeorgeskELF>8X@@HHHydrogenH11.0079414.0120.282.20HeliumHe24.0026020.954.2160.0LithiumLi36.941553.691118.150.98BerylliumBe49.01218155132431.57BoronB510.811257339312.04CarbonC612.011382051002.55NitrogenN714.0067463.2977.43.04OxygenO815.999454.890.193.44FluorineF918.99840353.5385.013.98NeonNe1020.17974827.1SodiumNa1122.989768370.961156.10.93MagnesiumMg1224.30592213631.31AluminumAl1326.981539933.527401.61SiliconSi1428.0855168326281.90PhosphorusP1530.973762317.35532.19SulfurS1632.066386717.8242.58ChlorineCl1735.4527172.2238.63.16ArgonAr1839.94883.887.3PotassiumK1939.0983336.810470.82CalciumCa2040.078111217571.00ScandiumSc2144.95591181431041.36TitaniumTi2247.88193335601.54VanadiumV2350.9415216036501.63ChromiumCr2451.9961213029451.66ManganeseMn2554.93805151722351.55IronFe2655.847180830231.83CobaltCo2758.9332176831431.88NickelNi2858.6934172630051.91CopperCu2963.5461356.62840ZincZn3065.39692.7311801.65GalliumGa3169.723302.9326761.81GermaniumGe3272.611210.631032.01ArsenicAs3374.9215910908762.18SeleniumSe3478.96490958.1BromineBr3579.904265.9331.92.96KryptonKr36116.6120.85RubidiumRb3785.4678312.2961StrontiumSr3887.6210421657YttriumY3988.90585179536111.22ZirconiumZr4091.224212546501.33NiobiumNb4192.90638274150151.6MolybdenumMo4295.94289048852.16TechnetiumTc4397.9072244551501.9RutheniumRu44101.07258341732.2RhodiumRh45102.9055223940002.28PalladiumPd46106.4218253413SilverAg47107.86821235.124851.93CadmiumCd112.411594.110381.69IndiumIn49114.818429.3223531.78TinSn50118.71505.125431.96AntimonySb51121.760903.919082.05TelluriumTe52127.6722.712632.1IodineI53126.90447386.7457.52.66XenonXe54131.29161.3166.1CesiumCs55132.90543301.6951.60.79BariumBa56137.327100219100.89LanthanumLa57138.9055119437301.10CeriumCe58140.115107236991.12PraseodymiumPr59140.90765120437851.13NeodymiumNd60144.24129433411.14PromethiumPm61144.912714413000SamariumSm62150.36135020641.17EuropiumEu63151.96510951870GadoliniumGd64157.25158635391.20TerbiumTb65158.9253416293296DysprosiumDy66162.5016852835HolmiumHo67164.93032174729681.23ErbiumEr68167.26180231361.24ThuliumTm69168.93421181822201.25YtterbiumYb70173.0410971466LutetiumLu71174.967193636681.27HafniumHf72178.49250354701.3TantalumTa73180.9479326956981.5TungstenW74183.84368059302.36RheniumRe75186.20734535900OsmiumOs76190.2333275300IridiumIr77192.2226834403PlatinumPt78195.0820454100GoldAu79196.966541337.5830802.54MercuryHg80200.59234.28629.732.00ThalliumTl81204.3833576.617301.62LeadPb82207.2600.6520131.8BismuthBi83208.98037544.518832.02PoloniumPo84208.982452712352.0AstatineAt85209.9871575610RadonRn86222.0176202211.4FranciumFr87223.01973009500.7RadiumRa88226.025497314130.9ActiniumAc89227.0278132034701.1ThoriumTh90232.038120285060ProtactiniumPa91231.0358821134300UraniumU92238.02891405.540181.38NeptuniumNp93237.0489134175PlutoniumPu94244.064291435051.28AmericiumAm95243.061412672880CuriumCm96247.07031620n/aBerkeliumBk97CaliforniumCf98251.07961170EinsteiniumEs99252.0831130FermiumFm100257.09511800MendeleviumMd101258.11100NobeliumNo102259.1009LawrenciumLr103262.11RutherfordiumRf104[261]DubniumDb105[262]SeaborgiumSg106[266]BohriumBh107[264]HassiumHs108[269]MeitneriumMt109[268]UnunniliumUun110UnununiumUuu111[272]UnunbiumUub112[277]UnuntriumUut113UnunquadiumUuq114[289]UnunpentiumUup115UnunhexiumUuh116UnunseptiumUus117UnunoctiumUuo118Q'8Rint_dstd!K!RKUe[\]^_` @    3 ` {       < a       6 \ |      1 K e   Yo:\|ã8Xxˏ̦       0 1dR  S Yveq_ Y Ylt_ Y YR f f 11" ffF f 1 Y lj l f 1l l f 1l l 1 vv r Y _  r reof$( r85x67 3   g$  Q x   _  R \ dec  hex    oct @   " & ) , /  3@ 6 9J < J$ N Q V Y iapp lQ6ate oQin wQout zQ Qcur end  R S T  \( eB h\ iq d j !="J UDD D R -J#$ Re Y Y% {{ Rd% X{ { Y$ - { Y - Y Y R 0Y Y Y Y Y R KY5 Y Y& @5  ' ' ' ' ()a *S +V ,X ,\ 'TR'] -d .?^ j %  R% - - : %S S S R - Y % { Y - % R -  Y %KR - R%RR - /%{R - /% - 0 %-6 Y - 6  %m-a S Y - 6 %iRw w }  %- S - 6 Y% Y - % Y %\R S - /%R /% 6 - %dRV - V E %R| - V %qR S - V %R V %lR V %R V %r- { Y 6 $S 1 S $RK $Re $S  S $- %W- S -   1tm8Y'R'R'R'R 'R'R'R'R'R '('Y0%-o $S  S -$R -$S  S -%- {  - 6  %- %-- 4S %UU 4%S | S 4% 4 R%8 4 R$- S -%R %ER -%IS 8 S -%NS X S -%RS x S Y -%YR /%R /  Y     Y   < D Y -2  ,1-Q 73:M3;M3?3@M R 73:3;3?3@M 8 7:3:_3;_3?3@M d 7|3:3;3?3@M 9473:3;3?3@M % 4% 4 R%$$ 4 R27S58c6v6v6 `6':{';{'A{'G{'H{ 'I{('J{0'K{8'L{@'M{H'NdP'OdQ'QdR'SdS'UdT'WdU'^dV'_dW'bdX'ddY'fdZ'hd['od\'pd]$}{ R Y7x(R8  R_848#$RB $݋ \ $q Y$ Y99:8 ;-Y.?<=R=R>'?@ABtCU D;CT EQ-.?vF  G H IxJK@KIF~LQIMNR  % : ; 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Khaznadar ------------------------------------------- chemeq is a basic standalone filter written in C language, flex and bison. It inputs strings like: 2H2 + O2 ---> 2 H2O and can outputs LaTeX code and messages about the equilibrium of a chemical reaction. example:~/src$ echo "2H2 + O2 ---> 2 H2O" | chemeq -lc 2\,H_{2}\,+\,O_{2}\,\rightarrow\,2\,H_{2}O OK example:~/src$ which means : 2 molecules of dihydrogen react with one molecule of dioxygen, yelding two water molecules. The first line, "2\,H_{2}\,+\,O_{2}\,\rightarrow\,2\,H_{2}O" is a translation of the equation in LaTeX language. The second line "OK" means that the equation is well equilibrated. When the input is not successfully parsed, the filter fails with the exit code 1. example:~/src$ echo "2H^2 + O2 ---> 2 H2O" | chemeq -lc ERROR parse error at 4 example:~/src$ NOTE : syntax of ions. allthough in some cases, shorter expressions are sucessfully parsed, it is safer to consider that an "up arrow" (^) must be put before the charge symbols of an ion. Examples : H3O^+, Fe(CN)6^4-, OH^- NOTE : square brackets Square brackets are allowed outside of a simple chemical notation, as in [Fe(CN)6]4-, and only there. NOTE : Chemical equilibrium constants. For chemical equilibriums, the constant for the Gulder-Waage equation or the potential for the Nernst equation can be written at the end of the equation, surrounded by parentheses. See some examples in src/test.1, and get them rendered by LaTeX with the command src/chemreport This filter can be embedded in educational test systems, in order to analyze a student's answer to a problem of physics or chemistry. This software snippet is GPL, see the file COPYING. Feedback is welcome. -- Georges. ----------------------------------------------------------- Chemeq options ----------------------------------------------------------- You can choose chemeq's output by specifying some options. Valid options are the following : -h outputs a *H*elp message. -m outputs a *M*inimal output. It allows chemeq to be idempotent, i.e. the command 'chemeq | chemeq' is equivalent to 'chemeq'. -l outputs a *L*aTeX string representing the chemical equation. -c outputs a message giving informations about the *C*onservation of elements and charges in the equation. 'OK' means that both elements and electric charges are balanced. -w outputs the LaTeX string representing the Gulder-*W*aage equation related to the input chemical equation, or the Nernst equation, if the input equation is a redox semi-equation. -n outputs a *N*ormalized string accounting for the input equation. Two chemical equations having the same normalized string are chemically equivalent, even if the molecules are scrambled around and the coefficient are not equal but proportionnal. 'chemeq' defaults to 'chemeq -mlcwn'. ----------------------------------------------------------- INSTALLATION ----------------------------------------------------------- To build chemeq, run 'make' in the main chemeq directory, to install it with its man page, run 'make install' in the main directory. ----------------------------------------------------------- TEST MODE and DEMO ----------------------------------------------------------- If you modifiy the source code, it is possible to test its conformance to previous versions by running 'make test' in the main directory. If 'make test' replies 'OK' for all items, and if you have latex and xdvi installed, you can run 'make demo' to see some examples of typesetting. chemeq-2.12.orig/tests/0000755000175000017500000000000012244451344015202 5ustar georgeskgeorgeskchemeq-2.12.orig/tests/chemreport0000644000175000017500000000031412244450441017270 0ustar georgeskgeorgesk#!/bin/sh export PATH=../src:$PATH if [ -f test.stuff ]; then cat test.stuff | /usr/bin/perl chemreport.pl fi if [ -f test.stuff.gz ]; then zcat test.stuff.gz | /usr/bin/perl chemreport.pl fi chemeq-2.12.orig/tests/test.stuff0000644000175000017500000003035512244446334017243 0ustar georgeskgeorgesk####################################################################### # fichier de test pour chemeq. # # les lignes comprennent une entrée pour chemeq puis la liste des lignes # que chemeq doit rendre. # # les lignes commençant par une dièse sont des commentaires. # les commentaires ne sont permis qu'avant une ligne d'entrée. # # le résultat n'affiche que "OK" ou un message d'erreur en rapport # avec la première ligne de chaque test. Voir le fichier test.stuff # pour en savoir plus. #x #x ####################################################################### # # une équation déséquilibrée # ####################################################################### MnO4^- + 8H3O^+ + 5e- --> Mn^2+ + 4 H2O MnO4^-_aq + 8 H3O^+_aq + 5 e^- -> Mn^2+_aq + 4 H2O \mathrm{Mn}\mathrm{O}_{4}^{-}\,+\,8\,\mathrm{H}_{3}\mathrm{O}^{+}\,+\,5\,\mathrm{e}^{-}\,\longrightarrow\,\mathrm{Mn}^{2+}\,+\,4\,\mathrm{H}_{2}\mathrm{O} ERROR H : 24 Mn : 1 O : 12 / H : 8 Mn : 1 O : 4 E\,=\,E_{0}\,+\,\frac{R\,T}{5\,F}\log\frac{[\mathrm{Mn}\mathrm{O}_{4}^{-}]\,[\mathrm{H}_{3}\mathrm{O}^{+}]^{8\,}}{[\mathrm{Mn}^{2+}]} MnO4^-_aq|Mn:1*1 O:1*4, 8 H3O^+_aq|H:8*3 O:8*1, 5 e^-|e:5*1; Mn^2+_aq|Mn:1*1, 4 H2O|H:4*2 O:4*1 H3O^+_aq + 1/8 MnO4^-_aq + 5/8 e^- -> 1/2 H2O + 1/8 Mn^2+_aq ####################################################################### # # des équations équilibrées # ####################################################################### 1/2 Cu^2+ + OH- -> 1/2Cu(OH)2 1/2 Cu^2+_aq + OH^-_aq -> 1/2 Cu(OH)2_aq \frac{1}{2}\,\mathrm{Cu}^{2+}\,+\,\mathrm{O}\mathrm{H}^{-}\,\longrightarrow\,\frac{1}{2}\,\mathrm{Cu}(\mathrm{O}\mathrm{H})_{2} OK \frac{[\mathrm{Cu}(\mathrm{O}\mathrm{H})_{2}]^{\frac{1}{2}\,}}{[\mathrm{Cu}^{2+}]^{\frac{1}{2}\,}\,[\mathrm{O}\mathrm{H}^{-}]}\,=\,K 1/2 Cu^2+_aq|Cu:1/2*1, OH^-_aq|O:1*1 H:1*1; 1/2 Cu(OH)2_aq|Cu:1/2*1 O:1/2*2 H:1/2*2 Cu^2+_aq + 2 HO^-_aq -> Cu(HO)2_aq # MnO4^- + 8H3O^+ + 5e- --> Mn^2+ + 12 H2O MnO4^-_aq + 8 H3O^+_aq + 5 e^- -> Mn^2+_aq + 12 H2O \mathrm{Mn}\mathrm{O}_{4}^{-}\,+\,8\,\mathrm{H}_{3}\mathrm{O}^{+}\,+\,5\,\mathrm{e}^{-}\,\longrightarrow\,\mathrm{Mn}^{2+}\,+\,12\,\mathrm{H}_{2}\mathrm{O} OK E\,=\,E_{0}\,+\,\frac{R\,T}{5\,F}\log\frac{[\mathrm{Mn}\mathrm{O}_{4}^{-}]\,[\mathrm{H}_{3}\mathrm{O}^{+}]^{8\,}}{[\mathrm{Mn}^{2+}]} MnO4^-_aq|Mn:1*1 O:1*4, 8 H3O^+_aq|H:8*3 O:8*1, 5 e^-|e:5*1; Mn^2+_aq|Mn:1*1, 12 H2O|H:12*2 O:12*1 H3O^+_aq + 1/8 MnO4^-_aq + 5/8 e^- -> 3/2 H2O + 1/8 Mn^2+_aq ####################################################################### # # un équilibre chimique en phase gazeuse # ####################################################################### SO3_g -----> SO2_g + 1/2 O2_g (Kp=16.3) SO3_g -> SO2_g + 1/2 O2_g (Kp = 16.3) \mathrm{S}\mathrm{O}_{3}_{g}\,\longrightarrow\,\mathrm{S}\mathrm{O}_{2}_{g}\,+\,\frac{1}{2}\,\mathrm{O}_{2}_{g}\,(Kp\,=\,16.3) OK \frac{P_{\mathrm{S}\mathrm{O}_{2}}\,P_{\mathrm{O}_{2}}^{\frac{1}{2}\,}}{P_{\mathrm{S}\mathrm{O}_{3}}}\,=\,Kp\,=\,16.3 SO3_g|S:1*1 O:1*3; SO2_g|S:1*1 O:1*2, 1/2 O2_g|O:1/2*2 O3S_g -> O2S_g + 1/2 O2_g (Kp = 16.3) ####################################################################### # # un équilibre chimique en phases gazeuse et solide # ####################################################################### 2HgO_s -> 2Hg_g + O2_g (Kp=1.67e-22) 2 HgO_s -> 2 Hg_g + O2_g (Kp = 1.67e-22) 2\,\mathrm{Hg}\mathrm{O}_{s}\,\longrightarrow\,2\,\mathrm{Hg}_{g}\,+\,\mathrm{O}_{2}_{g}\,(Kp\,=\,1.67\times 10^{-22}) OK P_{\mathrm{Hg}}^{2\,}\,P_{\mathrm{O}_{2}}\,=\,Kp\,=\,1.67\times 10^{-22} 2 HgO_s|Hg:2*1 O:2*1; 2 Hg_g|Hg:2*1, O2_g|O:1*2 HgO_s -> Hg_g + 1/2 O2_g (Kp = 8.35e-23) ####################################################################### # # une réaction rédox avec de l'eau, un soluté et un gaz # ####################################################################### 2H3O^+ + 2e- ---> H2g + 2H2O (Eo=0.0 V) 2 H3O^+_aq + 2 e^- -> H2_g + 2 H2O (Eo = 0 V) 2\,\mathrm{H}_{3}\mathrm{O}^{+}\,+\,2\,\mathrm{e}^{-}\,\longrightarrow\,\mathrm{H}_{2}_{g}\,+\,2\,\mathrm{H}_{2}\mathrm{O}\,(Eo\,=\,0 V) OK E\,=\,0\,+\,\frac{R\,T}{2\,F}\log\frac{[\mathrm{H}_{3}\mathrm{O}^{+}]^{2\,}}{P_{\mathrm{H}_{2}}} 2 H3O^+_aq|H:2*3 O:2*1, 2 e^-|e:2*1; H2_g|H:1*2, 2 H2O|H:2*2 O:2*1 H3O^+_aq + e^- -> H2O + 1/2 H2_g (Eo = 0 V) ####################################################################### # # un équilibre entre solutés en phase aqueuse # ####################################################################### I- + I2 -> I3^- (K=714) I^-_aq + I2_aq -> I3^-_aq (K = 714) \mathrm{I}^{-}\,+\,\mathrm{I}_{2}\,\longrightarrow\,\mathrm{I}_{3}^{-}\,(K\,=\,714) OK \frac{[\mathrm{I}_{3}^{-}]}{[\mathrm{I}^{-}]\,[\mathrm{I}_{2}]}\,=\,K\,=\,714 I^-_aq|I:1*1, I2_aq|I:1*2; I3^-_aq|I:1*3 I^-_aq + I2_aq -> I3^-_aq (K = 714) ########################################################## # Une réaction rédox, avec des ions marqués ++ ########################################################## Fe^++ + 2e- --> Fes Fe^2+_aq + 2 e^- -> Fe_s \mathrm{Fe}^{2+}\,+\,2\,\mathrm{e}^{-}\,\longrightarrow\,\mathrm{Fe}_{s} OK E\,=\,E_{0}\,+\,\frac{R\,T}{2\,F}\log([\mathrm{Fe}^{2+}]) Fe^2+_aq|Fe:1*1, 2 e^-|e:2*1; Fe_s|Fe:1*1 Fe^2+_aq + 2 e^- -> Fe_s ########################################################## # Une réaction rédox, avec des ions complexes ########################################################## [Fe(CN)6]^4- + 2e- --> Fes + 6CN- [Fe(CN)6]^4-_aq + 2 e^- -> Fe_s + 6 CN^-_aq [\mathrm{Fe}(\mathrm{C}\mathrm{N})_{6}]^{4-}\,+\,2\,\mathrm{e}^{-}\,\longrightarrow\,\mathrm{Fe}_{s}\,+\,6\,\mathrm{C}\mathrm{N}^{-} OK E\,=\,E_{0}\,+\,\frac{R\,T}{2\,F}\log\frac{[[\mathrm{Fe}(\mathrm{C}\mathrm{N})_{6}]^{4-}]}{\,[\mathrm{C}\mathrm{N}^{-}]^{6\,}} [Fe(CN)6]^4-_aq|Fe:1*1 C:1*6 N:1*6, 2 e^-|e:2*1; Fe_s|Fe:1*1, 6 CN^-_aq|C:6*1 N:6*1 [Fe(CN)6]^4-_aq + 2 e^- -> 6 CN^-_aq + Fe_s ########################################################### # Anti-composition de deux demi-réactions rédox ########################################################### MnO4^- + 8H+ + 5e- -> Mn^2+ +4H2O ~ 5Fe^3+ + 5e- -> 5Fe^2+ 5 Fe^2+_aq + 8 H^+_aq + MnO4^-_aq -> 5 Fe^3+_aq + 4 H2O + Mn^2+_aq 5\,\mathrm{Fe}^{2+}\,+\,8\,\mathrm{H}^{+}\,+\,\mathrm{Mn}\mathrm{O}_{4}^{-}\,\longrightarrow\,5\,\mathrm{Fe}^{3+}\,+\,4\,\mathrm{H}_{2}\mathrm{O}\,+\,\mathrm{Mn}^{2+} OK \frac{[\mathrm{Fe}^{3+}]^{5\,}\,[\mathrm{Mn}^{2+}]}{[\mathrm{Fe}^{2+}]^{5\,}\,[\mathrm{H}^{+}]^{8\,}\,[\mathrm{Mn}\mathrm{O}_{4}^{-}]}\,=\,K 5 Fe^2+_aq|Fe:5*1, 8 H^+_aq|H:8*1, MnO4^-_aq|Mn:1*1 O:1*4; 5 Fe^3+_aq|Fe:5*1, 4 H2O|H:4*2 O:4*1, Mn^2+_aq|Mn:1*1 Fe^2+_aq + 8/5 H^+_aq + 1/5 MnO4^-_aq -> Fe^3+_aq + 4/5 H2O + 1/5 Mn^2+_aq ########################################################### # Composition de deux demi-réactions rédox ########################################################### MnO4^- + 8H+ + 5e- -> Mn^2+ +4H2O # 5Fe^2+ -> 5e- + 5Fe^3+ 5 Fe^2+_aq + 8 H^+_aq + MnO4^-_aq -> 5 Fe^3+_aq + 4 H2O + Mn^2+_aq 5\,\mathrm{Fe}^{2+}\,+\,8\,\mathrm{H}^{+}\,+\,\mathrm{Mn}\mathrm{O}_{4}^{-}\,\longrightarrow\,5\,\mathrm{Fe}^{3+}\,+\,4\,\mathrm{H}_{2}\mathrm{O}\,+\,\mathrm{Mn}^{2+} OK \frac{[\mathrm{Fe}^{3+}]^{5\,}\,[\mathrm{Mn}^{2+}]}{[\mathrm{Fe}^{2+}]^{5\,}\,[\mathrm{H}^{+}]^{8\,}\,[\mathrm{Mn}\mathrm{O}_{4}^{-}]}\,=\,K 5 Fe^2+_aq|Fe:5*1, 8 H^+_aq|H:8*1, MnO4^-_aq|Mn:1*1 O:1*4; 5 Fe^3+_aq|Fe:5*1, 4 H2O|H:4*2 O:4*1, Mn^2+_aq|Mn:1*1 Fe^2+_aq + 8/5 H^+_aq + 1/5 MnO4^-_aq -> Fe^3+_aq + 4/5 H2O + 1/5 Mn^2+_aq ########################################################### # Anti-composition de deux demi-réactions rédox avec potentiels standards ########################################################### MnO4^- + 8H+ + 5e- -> Mn^2+ +4H2O (1.51 V)~ 5Fe^3+ + 5e- -> 5Fe^2+ (0.77 V) 5 Fe^2+_aq + 8 H^+_aq + MnO4^-_aq -> 5 Fe^3+_aq + 4 H2O + Mn^2+_aq (3.50866e+62) 5\,\mathrm{Fe}^{2+}\,+\,8\,\mathrm{H}^{+}\,+\,\mathrm{Mn}\mathrm{O}_{4}^{-}\,\longrightarrow\,5\,\mathrm{Fe}^{3+}\,+\,4\,\mathrm{H}_{2}\mathrm{O}\,+\,\mathrm{Mn}^{2+}\,(3.50866\times 10^{+62}) OK \frac{[\mathrm{Fe}^{3+}]^{5\,}\,[\mathrm{Mn}^{2+}]}{[\mathrm{Fe}^{2+}]^{5\,}\,[\mathrm{H}^{+}]^{8\,}\,[\mathrm{Mn}\mathrm{O}_{4}^{-}]}\,=\,3.50866\times 10^{+62} 5 Fe^2+_aq|Fe:5*1, 8 H^+_aq|H:8*1, MnO4^-_aq|Mn:1*1 O:1*4; 5 Fe^3+_aq|Fe:5*1, 4 H2O|H:4*2 O:4*1, Mn^2+_aq|Mn:1*1 Fe^2+_aq + 8/5 H^+_aq + 1/5 MnO4^-_aq -> Fe^3+_aq + 4/5 H2O + 1/5 Mn^2+_aq (7.01731e+61) ########################################################### # Multiplication de tous les coefficients d'une réaction ########################################################### 5*Fe^3+ + e- -> Fe^2+ 5 Fe^3+_aq + 5 e^- -> 5 Fe^2+_aq 5\,\mathrm{Fe}^{3+}\,+\,5\,\mathrm{e}^{-}\,\longrightarrow\,5\,\mathrm{Fe}^{2+} OK E\,=\,E_{0}\,+\,\frac{R\,T}{5\,F}\log\frac{[\mathrm{Fe}^{3+}]^{5\,}}{[\mathrm{Fe}^{2+}]^{5\,}} 5 Fe^3+_aq|Fe:5*1, 5 e^-|e:5*1; 5 Fe^2+_aq|Fe:5*1 Fe^3+_aq + e^- -> Fe^2+_aq ########################################################### # Anti-composition de deux demi-réactions rédox avec des mutiplicateurs ########################################################### MnO4^- + 8H+ + 5e- -> Mn^2+ +4H2O (1.51 V)~ 5 * Fe^3+ + e- -> Fe^2+ (0.77 V) 5 Fe^2+_aq + 8 H^+_aq + MnO4^-_aq -> 5 Fe^3+_aq + 4 H2O + Mn^2+_aq (3.50866e+62) 5\,\mathrm{Fe}^{2+}\,+\,8\,\mathrm{H}^{+}\,+\,\mathrm{Mn}\mathrm{O}_{4}^{-}\,\longrightarrow\,5\,\mathrm{Fe}^{3+}\,+\,4\,\mathrm{H}_{2}\mathrm{O}\,+\,\mathrm{Mn}^{2+}\,(3.50866\times 10^{+62}) OK \frac{[\mathrm{Fe}^{3+}]^{5\,}\,[\mathrm{Mn}^{2+}]}{[\mathrm{Fe}^{2+}]^{5\,}\,[\mathrm{H}^{+}]^{8\,}\,[\mathrm{Mn}\mathrm{O}_{4}^{-}]}\,=\,3.50866\times 10^{+62} 5 Fe^2+_aq|Fe:5*1, 8 H^+_aq|H:8*1, MnO4^-_aq|Mn:1*1 O:1*4; 5 Fe^3+_aq|Fe:5*1, 4 H2O|H:4*2 O:4*1, Mn^2+_aq|Mn:1*1 Fe^2+_aq + 8/5 H^+_aq + 1/5 MnO4^-_aq -> Fe^3+_aq + 4/5 H2O + 1/5 Mn^2+_aq (7.01731e+61) ########################################################### # Anti-composition de deux demi-réactions rédox avec des mutiplicateurs ########################################################### 2 * MnO4^- + 8H+ + 5e- -> Mn^2+ +4H2O ~ 5 * O2_g + 2H^+ + 2e^- -> H2O2 6 H^+_aq + 5 H2O2_aq + 2 MnO4^-_aq -> 8 H2O + 2 Mn^2+_aq + 5 O2_g 6\,\mathrm{H}^{+}\,+\,5\,\mathrm{H}_{2}\mathrm{O}_{2}\,+\,2\,\mathrm{Mn}\mathrm{O}_{4}^{-}\,\longrightarrow\,8\,\mathrm{H}_{2}\mathrm{O}\,+\,2\,\mathrm{Mn}^{2+}\,+\,5\,\mathrm{O}_{2}_{g} OK \frac{\,[\mathrm{Mn}^{2+}]^{2\,}\,P_{\mathrm{O}_{2}}^{5\,}}{[\mathrm{H}^{+}]^{6\,}\,[\mathrm{H}_{2}\mathrm{O}_{2}]^{5\,}\,[\mathrm{Mn}\mathrm{O}_{4}^{-}]^{2\,}}\,=\,K 6 H^+_aq|H:6*1, 5 H2O2_aq|H:5*2 O:5*2, 2 MnO4^-_aq|Mn:2*1 O:2*4; 8 H2O|H:8*2 O:8*1, 2 Mn^2+_aq|Mn:2*1, 5 O2_g|O:5*2 H^+_aq + 5/6 H2O2_aq + 1/3 MnO4^-_aq -> 4/3 H2O + 1/3 Mn^2+_aq + 5/6 O2_g ########################################################### # Composition et anti-compositions de plus de deux réactions ########################################################### Fe^3+ + e^- -> Fe^2+ # Fe^2+ + 6CN^- -> Fe(CN)6^4- ~ Fe^3+ + 6CN^- -> Fe(CN)6^3- Fe(CN)6^3-_aq + e^- -> Fe(CN)6^4-_aq \mathrm{Fe}(\mathrm{C}\mathrm{N})_{6}^{3-}\,+\,\mathrm{e}^{-}\,\longrightarrow\,\mathrm{Fe}(\mathrm{C}\mathrm{N})_{6}^{4-} OK E\,=\,E_{0}\,+\,\frac{R\,T}{1\,F}\log\frac{[\mathrm{Fe}(\mathrm{C}\mathrm{N})_{6}^{3-}]}{[\mathrm{Fe}(\mathrm{C}\mathrm{N})_{6}^{4-}]} Fe(CN)6^3-_aq|Fe:1*1 C:1*6 N:1*6, e^-|e:1*1; Fe(CN)6^4-_aq|Fe:1*1 C:1*6 N:1*6 Fe(CN)6^3-_aq + e^- -> Fe(CN)6^4-_aq ########################################################### # Composition et anti-compositions de plus de deux réactions ########################################################### Fe^3+ + e^- -> Fe^2+ (0.77 V) # Fe^2+ + 6CN^- -> Fe(CN)6^4- (Kfa=1e24) ~ Fe^3+ + 6CN^- -> Fe(CN)6^3- (Kfb=1e31) Fe(CN)6^3-_aq + e^- -> Fe(CN)6^4-_aq (0.355899 V) \mathrm{Fe}(\mathrm{C}\mathrm{N})_{6}^{3-}\,+\,\mathrm{e}^{-}\,\longrightarrow\,\mathrm{Fe}(\mathrm{C}\mathrm{N})_{6}^{4-}\,(0.355899 V) OK E\,=\,0.355899\,+\,\frac{R\,T}{1\,F}\log\frac{[\mathrm{Fe}(\mathrm{C}\mathrm{N})_{6}^{3-}]}{[\mathrm{Fe}(\mathrm{C}\mathrm{N})_{6}^{4-}]} Fe(CN)6^3-_aq|Fe:1*1 C:1*6 N:1*6, e^-|e:1*1; Fe(CN)6^4-_aq|Fe:1*1 C:1*6 N:1*6 Fe(CN)6^3-_aq + e^- -> Fe(CN)6^4-_aq (0.355899 V) ########################################################### # Composition de deux réactions entraînant une simplification dans un membre ########################################################### 2Fe^3+ +2e^- -> 2Fe^2+ ~ Fe^2+ + 2e^- -> Fe_s 2 Fe^3+_aq + Fe_s -> 3 Fe^2+_aq 2\,\mathrm{Fe}^{3+}\,+\,\mathrm{Fe}_{s}\,\longrightarrow\,3\,\mathrm{Fe}^{2+} OK \frac{[\mathrm{Fe}^{2+}]^{3\,}}{[\mathrm{Fe}^{3+}]^{2\,}}\,=\,K 2 Fe^3+_aq|Fe:2*1, Fe_s|Fe:1*1; 3 Fe^2+_aq|Fe:3*1 Fe^3+_aq + 1/2 Fe_s -> 3/2 Fe^2+_aq chemeq-2.12.orig/tests/chemtest0000644000175000017500000000025311222350021016722 0ustar georgeskgeorgesk#!/bin/sh if [ -f test.stuff ]; then cat test.stuff | /usr/bin/perl chemtest.pl elif [ -f test.stuff.gz ]; then zcat test.stuff.gz | /usr/bin/perl chemtest.pl fi chemeq-2.12.orig/tests/chemtest.pl0000644000175000017500000000170411222350021017336 0ustar georgeskgeorgesk#!/usr/local/bin/perl # -*- coding: utf-8 -*- $lignes_de_reponse = 6; while(chomp($essai = )){ if(length($essai) != 0 && substr($essai,0,1) ne "#"){ for ($i=0; $i < $lignes_de_reponse; $i++){ chomp($tmp=); @reponse[$i]=$tmp; } $essai_ = $essai; $essai_ =~ s/\'/\\\'/g; @args = ("echo \"$essai_\" | chemeq > /tmp/tmp.1"); system @args; open (TMP,'/tmp/tmp.1'); $ok=1; for ($i=0; $i < $lignes_de_reponse; $i++){ chomp($tmp=); @result[$i]=$tmp; if (@result[$i] ne @reponse[$i]){$ok=0;} } if ($ok){print "OK\t\t$essai\n";} else{ print "***ERREUR***\t$essai\n"; for ($i=0; $i < $lignes_de_reponse; $i++){ if(@result[$i] ne @reponse[$i]){ print "ligne $i : on attendait\n"; print "\t\"@reponse[$i]\"\n"; print "on a trouvé\n"; print "\t\"@result[$i]\"\n"; } } } } else { if ($essai =~ /[a-zA-Z]/) {print "$essai\n";} } } system ("(cd /tmp; rm -f tmp.1)"); chemeq-2.12.orig/tests/chemreport.pl0000644000175000017500000000567312244451302017714 0ustar georgeskgeorgesk#!/usr/local/bin/perl # -*- coding: utf-8 -*- open ('TEX', '>/tmp/chemtest.tex'); print TEX "\\documentclass{article}\n"; #print TEX "\\usepackage[frenchb]{babel}\n"; print TEX "\\usepackage{a4wide}\n"; print TEX "\\usepackage[utf8]{inputenc}\n"; #print TEX "\\usepackage {lmodern}\n"; print TEX "\\title{Chemeq, a parser for chemical equations}\n"; print TEX "\\author{\\copyright{} GPL 2000-2013, Georges Khaznadar \\emph{georgesk\@debian.org}}\n"; print TEX "\\begin{document}\n\\maketitle\n\n\\sloppy\n"; print TEX "\\abstract{Chemtest is a parser which analyses its standard input and outputs useful strings accounting for informations related to chemical equations. It can be embedded in educational applications. Here are listed examples of possible inputs for chemeq. Some outputs are usefully interpreted by the LaTeX language in math mode. The other outputs are typeset with \\texttt{teletype fonts}.}\n\n"; $lignes_de_reponse = 6; print TEX "Currently, when \\texttt{chemeq} is fed with a chemical equation or a combination of chemical equations on its standard input, it gives ",$lignes_de_reponse," lines on its standard output.\n"; print TEX "\~\\\\\[3ex]\n\\hrule\n\\tableofcontents\n\~\\\\\[3ex]\n\\hrule\n"; while(chomp($essai = )){ if(length($essai) != 0 && substr($essai,0,1) ne "#"){ for ($i=0; $i < $lignes_de_reponse; $i++){ chomp($tmp=); @reponse[$i]=$tmp; } $essai_ = $essai; $essai_ =~ s/\'/\\\'/g; @args = ("echo \"$essai_\" | chemeq > /tmp/tmp.1"); system @args; open (TMP,'/tmp/tmp.1'); $essai =~ s/\^/\\\^{}/g; $essai =~ s/\>/\$>\$/g; $essai =~ s/\_/\\\_{}/g; $ok=1; for ($i=0; $i < $lignes_de_reponse; $i++){ chomp($tmp=); @result[$i]=$tmp; if (@result[$i] ne @reponse[$i]){ @idem[i]="KO"; $ok=0; } else { @idem[i]="OK"; } } if ($ok==1){ print TEX "\\section{OK : \\texttt{$essai}}\n"; } else { print TEX "\\section{ERROR : \\texttt{$essai}}\n"; } for ($i=0; $i < $lignes_de_reponse; $i++){ print TEX @idem[i]," "; } print TEX "\\\\\n"; print TEX "Expected output :\n"; print TEX "\\begin{enumerate} \n"; for ($i=0; $i < $lignes_de_reponse; $i++){ print TEX "\\item "; if (@reponse[$i] =~ /\\/){ print TEX "\$\$",@reponse[$i],"\$\$\n"; } else { $buffer = @reponse[$i]; $buffer =~ s/\^/\\\^{}/g; $buffer =~ s/\>/\$>\$/g; $buffer =~ s/\_/\\\_{}/g; $buffer =~ s/\|/\$|\$/g; print TEX "\\texttt{", $buffer,"}\n"; } } print TEX "\\end{enumerate}\n"; if (!$ok){ print TEX "found output :\n"; print TEX "\\begin{enumerate} \n"; for ($i=0; $i < $lignes_de_reponse; $i++){ print TEX "\\item \\verb|", @reponse[$i], "|\n"; } print TEX "\\end{enumerate}\n"; } } } print TEX "\\end{document}\n"; close TEX; system ("(cd /tmp; echo q | latex chemtest.tex)"); system ("(cd /tmp; echo q | latex chemtest.tex)"); system ("(cd /tmp; xdvi chemtest.dvi)"); system ("(cd /tmp;rm -f chemtest* tmp.1)");