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)
 CoordValue (bool fixed, bool computed)
virtual ~CoordValue ()
void set_fixed (bool fixed)
bool fixed () const
void invalidate ()
 Flag the current value as outdated. More...

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...
bool computed_
 Whether the current value is up to date or not. 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: