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Diffstat (limited to 'libcrystfel/src/symop.y')
| -rw-r--r-- | libcrystfel/src/symop.y | 140 |
1 files changed, 140 insertions, 0 deletions
diff --git a/libcrystfel/src/symop.y b/libcrystfel/src/symop.y new file mode 100644 index 00000000..be31c21d --- /dev/null +++ b/libcrystfel/src/symop.y @@ -0,0 +1,140 @@ +/* + * symop.y + * + * Parser for symmetry operations + * + * Copyright © 2019 Deutsches Elektronen-Synchrotron DESY, + * a research centre of the Helmholtz Association. + * + * Authors: + * 2019 Thomas White <taw@physics.org> + * + * This file is part of CrystFEL. + * + * CrystFEL 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. + * + * CrystFEL 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 CrystFEL. If not, see <http://www.gnu.org/licenses/>. + * + */ + +%{ + #include <stdio.h> + + #include "rational.h" + #include "symmetry.h" + + extern int symoplex(); + extern int symopparse(RationalMatrix *m, SymOpList *list); + void symoperror(RationalMatrix *m, SymOpList *list, const char *s); +%} + +%define api.prefix {symop} + +%parse-param {RationalMatrix *m} {SymOpList *list} + +%code requires { + #include "symmetry.h" +} + +%union { + RationalMatrix *m; /* Full rational matrix */ + Rational rv[3]; /* Rational vector, e.g. '1/2h+3k' */ + Rational r; /* Rational number */ + int n; /* Just a number */ +} + +%token SEMICOLON +%token COMMA +%token NUMBER +%token OPENB CLOSEB +%token H K L + +%left PLUS MINUS +%left DIVIDE +%precedence MUL +%precedence NEG + +%type <m> symop +%type <rv> axexpr +%type <rv> part +%type <n> NUMBER +%type <r> fraction + +%{ +static int try_add_symop(SymOpList *list, RationalMatrix *m, int complain) +{ + if ( list == NULL ) { + /* Only complain if this isn't the only operation provided */ + if ( complain ) { + yyerror(m, list, "Must be a single symmetry operation"); + } + return 1; + } else { + IntegerMatrix *im; + im = intmat_from_rtnl_mtx(m); + if ( im == NULL ) { + yyerror(m, list, "Symmetry operations must all be integer"); + return 1; + } else { + add_symop(list, im); + } + } + return 0; +} +%} + +%% + +symoplist: + symop { try_add_symop(list, m, 0); } +| symoplist SEMICOLON symop { if ( try_add_symop(list, m, 1) ) YYERROR; } +; + +symop: + axexpr COMMA axexpr COMMA axexpr { rtnl_mtx_set(m, 0, 0, $1[0]); + rtnl_mtx_set(m, 1, 0, $1[1]); + rtnl_mtx_set(m, 2, 0, $1[2]); + rtnl_mtx_set(m, 0, 1, $3[0]); + rtnl_mtx_set(m, 1, 1, $3[1]); + rtnl_mtx_set(m, 2, 1, $3[2]); + rtnl_mtx_set(m, 0, 2, $5[0]); + rtnl_mtx_set(m, 1, 2, $5[1]); + rtnl_mtx_set(m, 2, 2, $5[2]); + } +; + +axexpr: + part { int i; for ( i=0; i<3; i++ ) $$[i] = $1[i]; } +| axexpr PLUS axexpr { int i; for ( i=0; i<3; i++ ) $$[i] = rtnl_add($1[i], $3[i]); } +| axexpr MINUS axexpr { int i; for ( i=0; i<3; i++ ) $$[i] = rtnl_sub($1[i], $3[i]); } +| MINUS axexpr %prec NEG { int i; for ( i=0; i<3; i++ ) $$[i] = rtnl_sub(rtnl_zero(), $2[i]); } +| OPENB axexpr CLOSEB { int i; for ( i=0; i<3; i++ ) $$[i] = $2[i]; } +| axexpr DIVIDE NUMBER { int i; for ( i=0; i<3; i++ ) $$[i] = rtnl_div($1[i], rtnl($3, 1)); } +| NUMBER axexpr %prec MUL { int i; for ( i=0; i<3; i++ ) $$[i] = rtnl_mul($2[i], rtnl($1, 1)); } +| fraction axexpr %prec MUL { int i; for ( i=0; i<3; i++ ) $$[i] = rtnl_mul($2[i], $1); } +; + +part: + H { $$[0] = rtnl(1, 1); $$[1] = rtnl_zero(); $$[2] = rtnl_zero(); } +| K { $$[1] = rtnl(1, 1); $$[0] = rtnl_zero(); $$[2] = rtnl_zero(); } +| L { $$[2] = rtnl(1, 1); $$[0] = rtnl_zero(); $$[1] = rtnl_zero(); } +; + +fraction: + NUMBER DIVIDE NUMBER { $$ = rtnl($1, $3); } +; + +%% + +void symoperror(RationalMatrix *m, SymOpList *list, const char *s) { + printf("Error: %s\n", s); +} |