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|
%{
#include <BALL/FORMAT/GAMESSDatFile.h>
#include <iostream>
#include <cstdlib>
using namespace BALL;
using namespace std;
extern int yylex();
extern void yyerror(char const* s);
%}
%union {
char* text;
float value;
}
%token <text> TK_COMMENT
%token <text> TK_LINE
%token <text> TK_BLOCK_START
%token <text> TK_DATA
%token <text> TK_ATOM
%token <text> TK_GROUP
%token <value> TK_FLOAT
%token <text> TK_BOND
%token TK_BLOCK_END
%token TK_DATA_BLOCK_START
%token TK_ZMAT_BLOCK_START
%token TK_VEC_BLOCK_START
%token TK_EQUALS
%type <text> non_blocked
%%
gamessfile: /* empty */
| gamessfile TK_COMMENT {}
| gamessfile block {}
| gamessfile non_blocked {}
;
non_blocked:
non_blocked TK_LINE {}
| TK_LINE {};
block:
start_block dataset TK_BLOCK_END { }
| TK_DATA_BLOCK_START mol_name mol_symmetry atom_data TK_BLOCK_END {
}
| TK_ZMAT_BLOCK_START TK_GROUP zmat_block TK_BLOCK_END {}
| TK_VEC_BLOCK_START vec_block TK_BLOCK_END {}
;
start_block:
TK_BLOCK_START { GAMESSDatFile::state.current_parser->inBlock($1); }
;
mol_name:
| TK_LINE {
GAMESSDatFile::state.current_parser->newMolecule();
GAMESSDatFile::state.current_parser->setMoleculeName($1);
}
;
mol_symmetry:
| TK_LINE { }
;
zmat_block:
zmat_block TK_LINE { }
| TK_BOND {
String s($1);
GAMESSDatFile::state.current_parser->insertBond(s.getField(1,",").toInt()-1, s.getField(2,",").toInt()-1);
}
| zmat_block TK_BOND {
String s($2);
GAMESSDatFile::state.current_parser->insertBond(s.getField(1,",").toInt()-1, s.getField(2,",").toInt()-1);
}
| TK_LINE { }
;
vec_block:
vec_block TK_LINE { }
| TK_LINE { }
;
dataset:
data {}
| dataset data {}
| TK_LINE {}
| dataset TK_LINE { }
;
atom_data:
atom_line {}
| atom_data atom_line {}
;
data:
TK_DATA TK_EQUALS TK_DATA { GAMESSDatFile::state.current_parser->insertBlockedData($1, $3); free($1); free($3); }
;
atom_line:
TK_LINE {}
| TK_ATOM TK_FLOAT TK_FLOAT TK_FLOAT TK_FLOAT
{
GAMESSDatFile::state.current_parser->insertAtom($1, $2, $3, $4, $5);
free($1);
}
%%
void yyerror(char const* s)
{
/** throw Exception::ParseError(__FILE__, 0,
SmilesParser::state.buffer,
String(s) + String(" (at position ")
+ String(SmilesParser::state.char_count) + String(")"));
*/
printf("Parse Error! (%s)\n", s);
}
|
