85 |
|
|
86 |
|
AtomType* atomType = ff.getAtomType(atomTypeName); |
87 |
|
if (atomType == NULL) { |
88 |
< |
sprintf(painCave.errMsg, "MultipoleAtomTypesSectionParser Error: Can not find matched AtomType at line %d\n", |
89 |
< |
lineNo); |
88 |
> |
sprintf(painCave.errMsg, "MultipoleAtomTypesSectionParser Error: Can not find matched AtomType[%s] at line %d\n", |
89 |
> |
atomTypeName.c_str(), lineNo); |
90 |
|
painCave.isFatal = 1; |
91 |
|
simError(); |
92 |
|
} |
93 |
|
|
94 |
|
DirectionalAtomType* dAtomType = dynamic_cast<DirectionalAtomType*>(atomType); |
95 |
|
if (dAtomType == NULL) { |
96 |
< |
sprintf(painCave.errMsg, "MultipoleAtomTypesSectionParser Error: Can not Cast Atom to DirectionalAtom at line \n"); |
96 |
> |
sprintf(painCave.errMsg, "MultipoleAtomTypesSectionParser Error: Can not Cast Atom to DirectionalAtom at line %d\n", lineNo); |
97 |
|
painCave.isFatal = 1; |
98 |
|
simError(); |
99 |
|
} |