[ViewVC] Diff of: group/trunk/OOPSE_old/src/mdtools/libmdCode/TraPPE

Comparing trunk/OOPSE_old/src/mdtools/libmdCode/TraPPE_ExFF.cpp (file contents):
Revision 367 by mmeineke, Wed Mar 19 17:29:49 2003 UTC vs.
Revision 373 by mmeineke, Thu Mar 20 19:01:44 2003 UTC

#	Line 1128 \| Line 1128 \| *void TraPPE_ExFF::initializeTorsions( torsion_set the**
1128		~LinkedType(){ if( next != NULL ) delete next; }
1129
1130		LinkedType* find( char* key1, char* key2, char* key3, char* key4 ){
1131	+
1132	+	std::cerr<< "looking for: " << key1 << " - " << key2 << " - "
1133	+	<< key3 << " - " << key4 << "\n";
1134	+
1135	+	std::cerr<< "I've got: " << nameA << " - " << nameB << " - "
1136	+	<< nameC << " - " << nameD << "\n";
1137	+
1138	+
1139	+
1140		if( !strcmp( nameA, key1 ) && !strcmp( nameB, key2 ) &&
1141		!strcmp( nameC, key3 ) && !strcmp( nameD, key4 ) ) return this;
1142
#	Line 1163 \| Line 1172 \| *void TraPPE_ExFF::initializeTorsions( torsion_set the**
1172		strcpy(next->nameA, info.nameA);
1173		strcpy(next->nameB, info.nameB);
1174		strcpy(next->nameC, info.nameC);
1175	+	strcpy(next->nameD, info.nameD);
1176		strcpy(next->type, info.type);
1177		next->k1 = info.k1;
1178		next->k2 = info.k2;
1179		next->k3 = info.k3;
1180		next->k4 = info.k4;
1181	+
1182	+	std::cerr << "added: " << info.nameA << " - " << info.nameB << " - "
1183	+	<< info.nameC << " - " << info.nameD << "\n";
1184		}
1185		}
1186
#	Line 1253 \| Line 1266 \| *void TraPPE_ExFF::initializeTorsions( torsion_set the**
1266		// the parser returns 0 if the line was blank
1267		if( parseTorsion( readLine, lineNum, info ) ){
1268		headTorsionType->add( info );
1269	+
1270		}
1271		}
1272		eof_test = fgets( readLine, sizeof(readLine), frcFile );

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