7 #ifndef BALL_SOLVATION_SOLVENTPARAMETER_H 8 #define BALL_SOLVATION_SOLVENTPARAMETER_H 10 #ifndef BALL_SOLVATION_SOLVENTDESCRIPTOR_H 14 #ifndef BALL_FORMAT_PARAMETERS_H 18 #ifndef BALL_FORMAT_PARAMETERSECTION_H 22 #ifndef BALL_MOLMEC_PARAMETER_FORCEFIELDPARAMETERS_H 91 const String& getSolventName()
const;
96 const float& getSolventDensity()
const;
100 const std::vector<SolventAtomDescriptor>& getSolventDescription()
const;
115 virtual bool extractSection(
Parameters& parameters,
const String& section_name);
143 #endif // BALL_SOLVATION_SOLVENTPARAMETER_H
SolventDescriptor solvent_descriptor_
std::vector< SolventAtomDescriptor > solvent_atoms_
BALL_EXPORT bool operator==(const String &s1, const String &s2)
#define BALL_CREATE(name)