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mmeineke |
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#include <cstdlib> |
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#include "Molecule.hpp" |
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Molecule::Molecule( int theNMembers, Atom **atomStart ){ |
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nMembers = theNMembers; |
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myAtoms = atomStart; |
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nBonds = 0; |
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nBends = 0; |
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nTorsions = 0; |
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} |
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void Molecule::setBonds( int theNBonds, Bond** bondStart ){ |
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nBonds = theNBonds; |
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myBonds = bondStart; |
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} |
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void Molecule::setBends( int theNBends, Bend** bendStart ){ |
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nBends = theNBends; |
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myBends = bendStart; |
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} |
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void Molecule::setTorsions( int theNTorsions, Torsion** torsionStart ){ |
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nTorsions = theNTorsions; |
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myTorsions = torsionStart; |
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} |