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%{
#include <BALL/MOLMEC/AMBER/GAFFCESParser.h>
#include <iostream>
#include <cstdlib>
using namespace BALL;
using namespace std;
extern int yylex();
extern void yyerror(const char* s);
%}
%union {
char* text;
int number;
}
%token TK_OPEN
%token TK_END
%token TK_AND
%token TK_MATCH_TRUE
%token <text> ATOMSTRING
%token <number> OPTIONAL_NUMBER
%token TK_APS_START
%token TK_APS_END
%token TK_APS_AND_TERM
%token TK_APS_OR_TERM
%token TK_APS_DELOCALIZED
%token TK_APS_PURE_SINGLE_BOND
%token TK_APS_PURE_DOUBLE_BOND
%token TK_APS_TRIPLE_BOND
%token TK_APS_AROMATIC_BOND
%token TK_APS_ALL_SINGLE_BONDS
%token TK_APS_ALL_DOUBLE_BONDS
%token TK_APS_NOT_BOUND_TO_PARENT
%token TK_APS_BOUND_TO_PARENT
%token TK_APS_PURE_AROMATIC_RING
%token TK_APS_PLANAR_RING
%token TK_APS_PLANAR_RING_WITH_DB
%token TK_APS_OTHER_RING_ATOM
%token TK_APS_PURE_ALIPHATIC_RING
%token TK_APS_THREE_RING
%token TK_APS_FOUR_RING
%token TK_APS_FIVE_RING
%token TK_APS_SIX_RING
%token TK_APS_SEVEN_RING
%token TK_APS_EIGHT_RING
%token TK_APS_NINE_RING
%token TK_APS_RING
%token TK_APS_NON_RING
%token TK_APS_TRUE
%token<number> TK_APS_NUMBER
%type <number> connection
%%
ces_string: /* empty */ {
Log.error() << "Warning: Empty String" << std::endl;
}
| ces_part {}
| aps ces_part {}
| aps {}
;
ces_part: open atomlist close {}
| TK_MATCH_TRUE {
GAFFCESParser::state.current_parser->current_root_predicate->addTruePredicate();
};
aps: TK_APS_START aps_and_terms TK_APS_END { }
;
aps_and_terms: aps_or_terms aps_and aps_and_terms {
}
| aps_or_terms { }
;
aps_and: TK_APS_AND_TERM {
GAFFCESParser::state.current_parser->current_predicate->addNewAND();
};
aps_or_terms: aps_or_term TK_APS_OR_TERM aps_or_terms { }
| aps_or_term { }
;
aps_or_term: aps_term {
GAFFCESParser::state.current_parser->current_predicate->addNewOR(GAFFCESParser::state.current_aps_type, GAFFCESParser::state.feature_number);
};
aps_term: TK_APS_TRUE {
GAFFCESParser::state.current_aps_type = (GAFFCESParser::APSMatcher::APSType) (GAFFCESParser::APSMatcher::APS_TRUE);
}
| optional_aps_number TK_APS_DELOCALIZED connection {
GAFFCESParser::state.current_aps_type = (GAFFCESParser::APSMatcher::APSType) (GAFFCESParser::APSMatcher::DELOCALIZED_BOND + $3);
}
| optional_aps_number TK_APS_PURE_SINGLE_BOND connection {
GAFFCESParser::state.current_aps_type = (GAFFCESParser::APSMatcher::APSType) (GAFFCESParser::APSMatcher::PURE_SINGLE_BOND + $3);
}
| optional_aps_number TK_APS_PURE_DOUBLE_BOND connection {
GAFFCESParser::state.current_aps_type = (GAFFCESParser::APSMatcher::APSType) (GAFFCESParser::APSMatcher::PURE_DOUBLE_BOND + $3);
}
| optional_aps_number TK_APS_TRIPLE_BOND connection {
// NOTE: GAFF does not distinguish between different kinds of triple bonds!
GAFFCESParser::state.current_aps_type = (GAFFCESParser::APSMatcher::APSType) (GAFFCESParser::APSMatcher::TRIPLE_BOND + $3);
}
| optional_aps_number TK_APS_AROMATIC_BOND connection {
GAFFCESParser::state.current_aps_type = (GAFFCESParser::APSMatcher::APSType) (GAFFCESParser::APSMatcher::AROMATIC_BOND + $3);
}
| optional_aps_number TK_APS_ALL_SINGLE_BONDS connection {
GAFFCESParser::state.current_aps_type = (GAFFCESParser::APSMatcher::APSType) (GAFFCESParser::APSMatcher::SINGLE_BOND + $3);
}
| optional_aps_number TK_APS_ALL_DOUBLE_BONDS connection {
GAFFCESParser::state.current_aps_type = (GAFFCESParser::APSMatcher::APSType) (GAFFCESParser::APSMatcher::DOUBLE_BOND + $3);
}
| optional_aps_number TK_APS_PURE_AROMATIC_RING {
GAFFCESParser::state.current_aps_type = GAFFCESParser::APSMatcher::IS_PURELY_AROMATIC;
}
| optional_aps_number TK_APS_PLANAR_RING {
GAFFCESParser::state.current_aps_type = GAFFCESParser::APSMatcher::IS_PLANAR;
}
| optional_aps_number TK_APS_PLANAR_RING_WITH_DB {
GAFFCESParser::state.current_aps_type = GAFFCESParser::APSMatcher::IS_PLANAR_WITH_DB_TO_NR;
}
| optional_aps_number TK_APS_OTHER_RING_ATOM {
GAFFCESParser::state.current_aps_type = GAFFCESParser::APSMatcher::IS_OTHER_RING;
}
| optional_aps_number TK_APS_PURE_ALIPHATIC_RING {
GAFFCESParser::state.current_aps_type = GAFFCESParser::APSMatcher::IS_PURELY_ALIPHATIC;
}
| optional_aps_number TK_APS_THREE_RING {
GAFFCESParser::state.current_aps_type = GAFFCESParser::APSMatcher::IS_3_RING_ATOM;
}
| optional_aps_number TK_APS_FOUR_RING {
GAFFCESParser::state.current_aps_type = GAFFCESParser::APSMatcher::IS_4_RING_ATOM;
}
| optional_aps_number TK_APS_FIVE_RING {
GAFFCESParser::state.current_aps_type = GAFFCESParser::APSMatcher::IS_5_RING_ATOM;
}
| optional_aps_number TK_APS_SIX_RING {
GAFFCESParser::state.current_aps_type = GAFFCESParser::APSMatcher::IS_6_RING_ATOM;
}
| optional_aps_number TK_APS_SEVEN_RING {
GAFFCESParser::state.current_aps_type = GAFFCESParser::APSMatcher::IS_7_RING_ATOM;
}
| optional_aps_number TK_APS_EIGHT_RING {
GAFFCESParser::state.current_aps_type = GAFFCESParser::APSMatcher::IS_8_RING_ATOM;
}
| optional_aps_number TK_APS_NINE_RING {
GAFFCESParser::state.current_aps_type = GAFFCESParser::APSMatcher::IS_9_RING_ATOM;
}
| optional_aps_number TK_APS_RING {
GAFFCESParser::state.current_aps_type = GAFFCESParser::APSMatcher::IS_RING_ATOM;
}
| optional_aps_number TK_APS_NON_RING {
GAFFCESParser::state.current_aps_type = GAFFCESParser::APSMatcher::IS_NON_RING_ATOM;
}
;
optional_aps_number: /* empty */ { GAFFCESParser::state.feature_number = -1; }
| TK_APS_NUMBER { GAFFCESParser::state.feature_number = $1; }
;
connection: /* empty */ { $$ = 0; }
| TK_APS_BOUND_TO_PARENT { $$ = 1; }
| TK_APS_NOT_BOUND_TO_PARENT { $$ = 2; }
;
open: TK_OPEN {
GAFFCESParser::state.current_parser->startChildPredicates();
};
close: TK_END {
GAFFCESParser::state.current_parser->endChildPredicates();
};
atomlist: atomsymbol optional_atomlist {}
| atomlist TK_AND atomsymbol optional_atomlist {};
optional_atomlist: /* empty */ {}
| open atomlist close {};
atomsymbol: atom_definition { }
| atom_definition aps { };
atom_definition: ATOMSTRING {
const set<String>& element_symbols = GAFFCESParser::state.current_parser->getElementSymbols();
if((element_symbols.find($1)) != element_symbols.end())
{
GAFFCESParser::state.current_parser->current_root_predicate->addCESelementPredicate($1);
}
else if( ((GAFFCESParser::state.current_parser->current_predicate->getStringToWildcard()).find($1)) != ((GAFFCESParser::state.current_parser->current_predicate->getStringToWildcard()).end()) )
{
GAFFCESParser::state.current_parser->current_root_predicate->addCESwildcardsPredicate($1);
}
}
| ATOMSTRING OPTIONAL_NUMBER {
const set<String>& element_symbols = GAFFCESParser::state.current_parser->getElementSymbols();
if((element_symbols.find($1)) != element_symbols.end())
{
GAFFCESParser::state.current_parser->current_root_predicate->addCESelementConnectionPredicate($2, $1);
}
else if( ((GAFFCESParser::state.current_parser->current_predicate->getStringToWildcard()).find($1)) != ((GAFFCESParser::state.current_parser->current_predicate->getStringToWildcard()).end()) )
{
GAFFCESParser::state.current_parser->current_root_predicate->addCESwildcardsConnectionPredicate($1, $2);
}
else
{
Log.error() << "No valid Atomsymbol found" << std::endl;
}
};
%%
void yyerror(const char* s)
{
printf("Parse Error! %s\n", s);
}
|
