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%{
#include <BALL/FORMAT/GAMESSDatFile.h>
#include <BALL/COMMON/parserDefinitions.h>
using namespace BALL;
#include "GAMESSDatParserParser.h"
#include <string.h>
#define YY_INPUT(buf,result,max_size) \
{ \
((std::istream*)GAMESSDatFile::state.current_parser)->read(buf, max_size);\
result = GAMESSDatFile::state.current_parser->gcount();\
}
%}
%s in_block
%s in_data_block
%s in_zmat_block
%s in_vec_block
%s in_coord_line
%option noyywrap
%option nounput
COMMENT !
BLOCK_END [[:space:]]*$[eE][nN][dD]
BLOCK_START [[:space:]]*$[a-zA-Z]*
DATA_BLOCK_START [[:space:]]*$[dD][aA][tT][aA]
ZMAT_BLOCK_START [[:space:]]*$[zZ][mM][aA][tT]
VEC_BLOCK_START [[:space:]]*$[vV][eE][cC]([[:digit:]]*)
INT [+-]?[0-9]+
FLOAT [+-]?[0-9]+"."[0-9]+
ATOM_START ^[[:blank:]]*[[:alnum:]]+
ATOM_LINE [[:blank:]]+{FLOAT}[[:blank:]]+{FLOAT}[[:blank:]]+{FLOAT}[[:blank:]]+{FLOAT}[[:space:]]*
VALID_START [^$][^eE][^nN][^dD]
VALID_END [[:blank:]]+.*\n|\n
ZMAT_BOND_START [[:blank:]]*1[[:space:]]*,
ZMAT_BOND_ANGLE_START [[:blank:]]*2[[:space:]]*,
ZMAT_DIHEDRAL_ANGLE_START [[:blank:]]*3[[:space:]]*,
ZMAT_ATOM_PLANE [[:blank:]]*4[[:space:]]*,
ZMAT_LINEAR_BEND [[:blank:]]*5[[:space:]]*,
ZMAT_DIHEDRAL_PLANE [[:blank:]]*6[[:space:]]*,
ZMAT_GHOST_TORSION [[:blank:]]*7[[:space:]]*,
ZMAT_TWO_NUM [[:space:]]*({INT}|{FLOAT})[[:space:]]*,[[:space:]]*({INT}|{FLOAT})
ZMAT_THREE_NUM ([[:space:]]*({INT}|{FLOAT})[[:space:]]*,){2}[[:space:]]*({INT}|{FLOAT})
ZMAT_FOUR_NUM ([[:space:]]*({INT}|{FLOAT})[[:space:]]*,){3}[[:space:]]*({INT}|{FLOAT})
ZMAT_FIVE_NUM ([[:space:]]*({INT}|{FLOAT})[[:space:]]*,){4}[[:space:]]*({INT}|{FLOAT})
ZMAT_SIX_NUM ([[:space:]]*({INT}|{FLOAT})[[:space:]]*,){5}[[:space:]]*({INT}|{FLOAT})
%%
{COMMENT}+.*$ {GAMESSDatParserlval.text = yytext; return(TK_COMMENT);}
{BLOCK_END}/{VALID_END} {BEGIN(INITIAL); return(TK_BLOCK_END);}
{DATA_BLOCK_START}/{VALID_END} {BEGIN(in_data_block); return(TK_DATA_BLOCK_START);}
{ZMAT_BLOCK_START}/{VALID_END} {BEGIN(in_zmat_block); return(TK_ZMAT_BLOCK_START);}
{VEC_BLOCK_START}/{VALID_END} {BEGIN(in_vec_block); return(TK_VEC_BLOCK_START);}
{BLOCK_START}/{VALID_END} {GAMESSDatParserlval.text = yytext+1; BEGIN(in_block); return(TK_BLOCK_START);}
<in_block>[[:alnum:]\.()+\-]* {GAMESSDatParserlval.text = strdup(yytext); return(TK_DATA);}
<in_block>= {return(TK_EQUALS);}
<in_block>^[^=\n]*$ {GAMESSDatParserlval.text = yytext; return(TK_LINE);}
<in_data_block>{ATOM_START}/{ATOM_LINE} {BEGIN(in_coord_line);GAMESSDatParserlval.text = strdup(yytext); return TK_ATOM;}
<in_coord_line>{FLOAT}$ {GAMESSDatParserlval.value = atof(yytext); BEGIN(in_data_block); return(TK_FLOAT);}
<in_coord_line>{FLOAT} {GAMESSDatParserlval.value = atof(yytext); return(TK_FLOAT);}
<in_zmat_block>[[:space:]]*[a-zA-Z][[:alnum:][:blank:]()]*/= {GAMESSDatParserlval.text = yytext; return(TK_GROUP);}
<in_zmat_block>{ZMAT_BOND_START}{ZMAT_TWO_NUM} {
GAMESSDatParserlval.text = yytext;
return(TK_BOND);
}
<in_zmat_block>{ZMAT_BOND_ANGLE_START}{ZMAT_THREE_NUM} {
GAMESSDatParserlval.text = yytext;
return(TK_LINE);
}
<in_zmat_block>{ZMAT_DIHEDRAL_ANGLE_START}{ZMAT_FOUR_NUM} {
GAMESSDatParserlval.text = yytext;
return(TK_LINE);
}
<in_zmat_block>{ZMAT_ATOM_PLANE}{ZMAT_FOUR_NUM} {
GAMESSDatParserlval.text = yytext;
return(TK_LINE);
}
<in_zmat_block>{ZMAT_LINEAR_BEND}{ZMAT_THREE_NUM} {
GAMESSDatParserlval.text = yytext;
return(TK_LINE);
}
<in_zmat_block>{ZMAT_DIHEDRAL_PLANE}{ZMAT_FIVE_NUM} {
GAMESSDatParserlval.text = yytext;
return(TK_LINE);
}
<in_zmat_block>{ZMAT_GHOST_TORSION}{ZMAT_SIX_NUM} {
GAMESSDatParserlval.text = yytext;
return(TK_LINE);
}
<in_zmat_block>,|\n {}
<in_data_block,in_vec_block,INITIAL>^.*$ {GAMESSDatParserlval.text = yytext; return(TK_LINE);}
<*>.|\n {}
%%
/**YY_BUFFER_STATE SmilesParser_buffer;
void SmilesParser_initBuffer(const char* buf)
{
SmilesParser_buffer = SmilesParser_scan_string(buf);
}
void SmilesParser_delBuffer()
{
SmilesParser_delete_buffer(SmilesParser_buffer);
}
**/
|
