Scine::Swoose  1.0.0
This is the SCINE module Swoose.
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Pages
ParameterFileWriter.h
Go to the documentation of this file.
1 
8 #ifndef MMPARAMETRIZATION_PARAMETERFILEWRITER_H
9 #define MMPARAMETRIZATION_PARAMETERFILEWRITER_H
10 
11 #include <list>
12 #include <string>
13 #include <vector>
14 
15 namespace Scine {
16 
17 namespace MolecularMechanics {
18 class SfamParameters;
19 } // namespace MolecularMechanics
20 
21 namespace MMParametrization {
22 
27 class ParameterFileWriter {
28  public:
29  ParameterFileWriter() = delete;
36  static void writeSfamParametersToFile(const std::string& filename, const MolecularMechanics::SfamParameters& parameters);
37 };
38 
39 } // namespace MMParametrization
40 } // namespace Scine
41 
42 #endif // MMPARAMETRIZATION_PARAMETERFILEWRITER_H
Scine::MMParametrization::ParameterFileWriter
This class writes the results of a SFAM parametrization (parameters) to file.
Definition: ParameterFileWriter.h:27
Scine::MMParametrization::ParameterFileWriter::writeSfamParametersToFile
static void writeSfamParametersToFile(const std::string &filename, const MolecularMechanics::SfamParameters &parameters)
Writes MM parameters to a file.
Definition: ParameterFileWriter.cpp:15
Scine::MolecularMechanics::SfamParameters
Class containing the parameters for SFAM&#39;s MM model obtained after parsing a SFAM parameter file...
Definition: SfamParameters.h:37