Collective Variables Module - Developer Documentation
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Classes | Public Member Functions | Protected Attributes | List of all members
GeometricPathCV::GeometricPathBase< element_type, scalar_type, path_type > Class Template Referenceabstract

Classes

struct  doCompareFrameDistance
 

Public Member Functions

 GeometricPathBase (size_t vector_size, const element_type &element=element_type(), size_t total_frames=1, bool p_use_second_closest_frame=true, bool p_use_third_closest_frame=false, bool p_use_z_square=false)
 
 GeometricPathBase (size_t vector_size, const std::vector< element_type > &elements, size_t total_frames=1, bool p_use_second_closest_frame=true, bool p_use_third_closest_frame=false, bool p_use_z_square=false)
 
virtual void initialize (size_t vector_size, const element_type &element=element_type(), size_t total_frames=1, bool p_use_second_closest_frame=true, bool p_use_third_closest_frame=false, bool p_use_z_square=false)
 
virtual void initialize (size_t vector_size, const std::vector< element_type > &elements, size_t total_frames=1, bool p_use_second_closest_frame=true, bool p_use_third_closest_frame=false, bool p_use_z_square=false)
 
virtual void prepareVectors ()=0
 
virtual void updateDistanceToReferenceFrames ()=0
 
virtual void compute ()
 
virtual void determineClosestFrames ()
 
virtual void computeValue ()
 
virtual void computeDerivatives ()
 

Protected Attributes

scalar_type v1v1
 
scalar_type v2v2
 
scalar_type v3v3
 
scalar_type v4v4
 
scalar_type v1v3
 
scalar_type v1v4
 
scalar_type f
 
scalar_type dx
 
scalar_type s
 
scalar_type z
 
scalar_type zz
 
std::vector< element_type > v1
 
std::vector< element_type > v2
 
std::vector< element_type > v3
 
std::vector< element_type > v4
 
std::vector< element_type > dfdv1
 
std::vector< element_type > dfdv2
 
std::vector< element_type > dzdv1
 
std::vector< element_type > dzdv2
 
std::vector< scalar_type > frame_distances
 
std::vector< size_t > frame_index
 
bool use_second_closest_frame
 
bool use_third_closest_frame
 
bool use_z_square
 
long min_frame_index_1
 
long min_frame_index_2
 
long min_frame_index_3
 
long sign
 
double M
 
double m
 

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