Scine::Swoose  2.1.0
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GaffParameterDefaultsProvider.h
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1 
8 #ifndef MOLECULARMECHANICS_GAFFPARAMETERDEFAULTSPROVIDER_H
9 #define MOLECULARMECHANICS_GAFFPARAMETERDEFAULTSPROVIDER_H
10 
11 #include <memory>
12 
13 namespace Scine {
14 namespace MolecularMechanics {
15 class GaffParameters;
16 
23  public:
27  std::unique_ptr<GaffParameters> getParameters();
28 
29  private:
30  void processParameters(GaffParameters& parameters);
31 };
32 
33 } // namespace MolecularMechanics
34 } // namespace Scine
35 
36 #endif // MOLECULARMECHANICS_GAFFPARAMETERDEFAULTSPROVIDER_H
Class containing the parameters for the GAFF model obtained after parsing a GAFF parameter file...
Definition: GaffParameters.h:38
std::unique_ptr< GaffParameters > getParameters()
Get the GAFF parameters.
Definition: GaffParameterDefaultsProvider.cpp:18
This class processes the default GAFF parameters from the file &#39;GaffDefaultParameters.h&#39; and returns the result when the getParameters() function is called.
Definition: GaffParameterDefaultsProvider.h:22