| # | Line 1089 | Line 1089 | int WATER_NS::parseDirectional( char *lineBuffer, int | |
|---|---|---|
| 1089 | } | |
| 1090 | else return 0; | |
| 1091 | } | |
| 1092 | – | double WATER::getAtomTypeMass (char* atomType) { |
| 1093 | – | |
| 1094 | – | currentAtomType = headAtomType->find( atomType ); |
| 1095 | – | if( currentAtomType == NULL ){ |
| 1096 | – | sprintf( painCave.errMsg, |
| 1097 | – | "AtomType error, %s not found in force file.\n", |
| 1098 | – | atomType ); |
| 1099 | – | painCave.isFatal = 1; |
| 1100 | – | simError(); |
| 1101 | – | } |
| 1102 | – | |
| 1103 | – | return currentAtomType->mass; |
| 1104 | – | } |
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