# | Line 202 | Line 202 | void OOPSEFormat::WriteMDFile(vector<OBMol*> mols, vec | |
---|---|---|
202 | os << identLevel1 << "}\n"; | |
203 | atomMap[&(*atom)] = ai++; | |
204 | } | |
205 | + | os << "\n"; |
206 | ||
207 | //bond | |
208 | FOR_BONDS_OF_MOL(bond, *pmol ) { | |
# | Line 246 | Line 247 | void OOPSEFormat::WriteMDFile(vector<OBMol*> mols, vec | |
247 | } | |
248 | */ | |
249 | os << "}\n"; | |
250 | + | os << "\n"; |
251 | + | |
252 | } | |
253 | ||
254 | + | os << "\n"; |
255 | os << "nComponents = " << mols.size() << ";\n"; | |
256 | ||
257 | for(unsigned int i =0; i < mols.size(); ++i) |
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+ | Added lines |
< | Changed lines |
> | Changed lines |