Ignore:
Timestamp:
Apr 1, 2010, 12:16:29 PM (16 years ago)
Author:
Saskia Metzler <metzler@…>
Children:
d3513b
Parents:
2704e2 (diff), 770138 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.
Message:

Merge Till's structure refactoring

Merge commit 'till/StructureRefactoring' into StateAndFormatParser

Conflicts:

molecuilder/src/Makefile.am
molecuilder/src/unittests/Makefile.am

File:
1 edited

Legend:

Unmodified
Added
Removed
  • molecuilder/src/Parser/XyzParser.cpp

    r2704e2 r0f7883  
    4444
    4545  for (int i = 0; i < numberOfAtoms; i++) {
    46     newAtom = World::get()->createAtom();
     46    newAtom = World::getInstance().createAtom();
    4747    *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));
    4949  }
    5050}
     
    5656 */
    5757void XyzParser::save(ostream* file) {
    58   *file << World::get()->numAtoms() << endl << comment << endl;
     58  *file << World::getInstance().numAtoms() << endl << comment << endl;
    5959
    60   vector<atom*> atoms = World::get()->getAllAtoms();
     60  vector<atom*> atoms = World::getInstance().getAllAtoms();
    6161  for(vector<atom*>::iterator it = atoms.begin(); it < atoms.end(); it++) {
    6262    *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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