65 |
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#include "types/TorsionType.hpp" |
66 |
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#include "types/InversionType.hpp" |
67 |
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#include "types/NonBondedInteractionType.hpp" |
68 |
– |
#include "UseTheForce/fForceOptions.h" |
68 |
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namespace OpenMD { |
69 |
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70 |
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/** |
138 |
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return atomTypeCont_.size(); |
139 |
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} |
140 |
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|
141 |
< |
AtomTypeContainer getAtomTypes() { |
142 |
< |
return atomTypeCont_; |
141 |
> |
AtomTypeContainer* getAtomTypes() { |
142 |
> |
return &atomTypeCont_; |
143 |
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} |
144 |
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|
145 |
< |
NonBondedInteractionTypeContainer getNonBondedInteractionTypes() { |
146 |
< |
return nonBondedInteractionTypeCont_; |
145 |
> |
NonBondedInteractionTypeContainer* getNonBondedInteractionTypes() { |
146 |
> |
return &nonBondedInteractionTypeCont_; |
147 |
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} |
148 |
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|
149 |
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bool addAtomType(const std::string &at, AtomType* atomType); |