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#include "io/AtomTypesSectionParser.hpp" |
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#include "types/AtomType.hpp" |
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+ |
#include "UseTheForce/ForceField.hpp" |
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namespace oopse { |
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AtomTypesSectionParser::AtomTypesSectionParser() { |
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} else { |
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std::string atomTypeName = tokenizer.nextToken(); |
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< |
AtomType* atomType = ff ->getAtomType(atomTypeName); |
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> |
AtomType* atomType = ff.getAtomType(atomTypeName); |
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if (atomType == NULL) { |
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atomType = new AtomType(); |
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int ident = ff.getNAtomType() + 1; |
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atomType->setIdent(ident); |
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atomType->setName(atomTypeName); |
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< |
ff.addAtomType(atomTypeName, atomType) |
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> |
ff.addAtomType(atomTypeName, atomType); |
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} |
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double mass = tokenizer.nextTokenAsDouble(); |