Changeset 0f7883 for molecuilder/src/Parser/XyzParser.cpp
- Timestamp:
- Apr 1, 2010, 12:16:29 PM (16 years ago)
- Children:
- d3513b
- Parents:
- 2704e2 (diff), 770138 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
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- 1 edited
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molecuilder/src/Parser/XyzParser.cpp (modified) (2 diffs)
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molecuilder/src/Parser/XyzParser.cpp
r2704e2 r0f7883 44 44 45 45 for (int i = 0; i < numberOfAtoms; i++) { 46 newAtom = World::get ()->createAtom();46 newAtom = World::getInstance().createAtom(); 47 47 *file >> type >> ws >> newAtom->x.x[0] >> ws >> newAtom->x.x[1] >> ws >> newAtom->x.x[2]; 48 newAtom->setType(World::get ()->getPeriode()->FindElement(type));48 newAtom->setType(World::getInstance().getPeriode()->FindElement(type)); 49 49 } 50 50 } … … 56 56 */ 57 57 void XyzParser::save(ostream* file) { 58 *file << World::get ()->numAtoms() << endl << comment << endl;58 *file << World::getInstance().numAtoms() << endl << comment << endl; 59 59 60 vector<atom*> atoms = World::get ()->getAllAtoms();60 vector<atom*> atoms = World::getInstance().getAllAtoms(); 61 61 for(vector<atom*>::iterator it = atoms.begin(); it < atoms.end(); it++) { 62 62 *file << fixed << (*it)->getType()->symbol << "\t" << (*it)->x.x[0] << "\t" << (*it)->x.x[1] << "\t" << (*it)->x.x[2] << endl;
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