| # | Line 780 | Line 780 | namespace OpenMD { | |
|---|---|---|
| 780 | #endif | |
| 781 | ||
| 782 | return atomTypes; | |
| 783 | + | } |
| 784 | + | |
| 785 | + | |
| 786 | + | int getGlobalCountOfType(AtomType* atype) { |
| 787 | + | /* |
| 788 | + | set<AtomType*> atypes = getSimulatedAtomTypes(); |
| 789 | + | map<AtomType*, int> counts_; |
| 790 | + | |
| 791 | + | for(mol = beginMolecule(mi); mol != NULL; mol = nextMolecule(mi)) { |
| 792 | + | for(atom = mol->beginAtom(ai); atom != NULL; |
| 793 | + | atom = mol->nextAtom(ai)) { |
| 794 | + | atom->getAtomType(); |
| 795 | + | } |
| 796 | + | } |
| 797 | + | */ |
| 798 | + | return 0; |
| 799 | } | |
| 800 | ||
| 801 | void SimInfo::setupSimVariables() { | |
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