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 |
|
|
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 |
|
|
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 ); |