Public Member Functions | Private Attributes | List of all members
psi::VariableValue Class Reference

#include <coordentry.h>

Inheritance diagram for psi::VariableValue:

Public Member Functions

 VariableValue (const std::string name, std::map< std::string, double > &geometryVariables, bool negate=false, bool fixed=false)
double compute () override
 Computes the current value, and returns it. More...
bool negated () const
const std::string & name () const
void set (double val) override
 Sets the current value. More...
CoordValueType type () override
 The type of variable representation. More...
std::shared_ptr< CoordValueclone (std::map< std::string, double > &map) override
 Clones the current object, using a user-provided variable array, for deep copying. More...
- Public Member Functions inherited from psi::CoordValue
 CoordValue ()
 CoordValue (bool fixed)
virtual ~CoordValue ()
void set_fixed (bool fixed)
bool fixed () const

Private Attributes

const std::string name_
std::map< std::string, double > & geometryVariables_
bool negate_

Additional Inherited Members

- Public Types inherited from psi::CoordValue
enum  CoordValueType { NumberType, VariableType }
- Protected Attributes inherited from psi::CoordValue
bool fixed_
 Fixed coordinate? More...

Detailed Description

Specialization of CoordValue, where the current value depends on the list of geometry values stored by the molecule.

Constructor & Destructor Documentation

psi::VariableValue::VariableValue ( const std::string  name,
std::map< std::string, double > &  geometryVariables,
bool  negate = false,
bool  fixed = false 

Member Function Documentation

std::shared_ptr<CoordValue> psi::VariableValue::clone ( std::map< std::string, double > &  map)

Clones the current object, using a user-provided variable array, for deep copying.

Implements psi::CoordValue.

double VariableValue::compute ( )

Computes the current value, and returns it.

Implements psi::CoordValue.

const std::string& psi::VariableValue::name ( ) const
bool psi::VariableValue::negated ( ) const
void psi::VariableValue::set ( double  val)

Sets the current value.

Implements psi::CoordValue.

CoordValueType psi::VariableValue::type ( )

The type of variable representation.

Implements psi::CoordValue.

Member Data Documentation

std::map<std::string, double>& psi::VariableValue::geometryVariables_
const std::string psi::VariableValue::name_
bool psi::VariableValue::negate_

The documentation for this class was generated from the following files: