CollectionMaster::CollectVectorInstanceDcdSelection Class Reference

#include <CollectionMaster.h>

Inheritance diagram for CollectionMaster::CollectVectorInstanceDcdSelection:

Public Member Functions
	CollectVectorInstanceDcdSelection (void)
	CollectVectorInstanceDcdSelection (int s)
void	append (CollectVectorMsg *msg, int max_index)
Public Member Functions inherited from CollectionMaster::CollectVectorInstance
	CollectVectorInstance (void)
	CollectVectorInstance (int s)
void	free ()
int	notfree ()
void	reset (int s)
void	append (CollectVectorMsg *msg, int max_index)
int	ready (void)

Additional Inherited Members
Public Attributes inherited from CollectionMaster::CollectVectorInstance
int	seq
Lattice	lattice
ResizeArray< Vector >	data
ResizeArray< FloatVector >	fdata
int	remaining

Detailed Description

Definition at line 246 of file CollectionMaster.h.

Constructor & Destructor Documentation

CollectVectorInstanceDcdSelection() [1/2]

CollectionMaster::CollectVectorInstanceDcdSelection::CollectVectorInstanceDcdSelection ( void  )

inline

Definition at line 249 of file CollectionMaster.h.

{ ; }

CollectVectorInstanceDcdSelection() [2/2]

CollectionMaster::CollectVectorInstanceDcdSelection::CollectVectorInstanceDcdSelection ( int  s )

inline

Definition at line 250 of file CollectionMaster.h.

References CollectionMaster::CollectVectorInstance::reset().

{ reset(s); }

Member Function Documentation

append()

void CollectionMaster::CollectVectorInstanceDcdSelection::append ( CollectVectorMsg *  msg, int  max_index  )

inline

Definition at line 251 of file CollectionMaster.h.

References CollectVectorMsg::aid, CollectVectorMsg::aid_size, ResizeArray< Elem >::begin(), CollectVectorMsg::data, CollectionMaster::CollectVectorInstance::data, CollectVectorMsg::data_size, CollectVectorMsg::fdata, CollectionMaster::CollectVectorInstance::fdata, CollectVectorMsg::fdata_size, Molecule::get_dcd_selection_index_from_atom_id(), CollectVectorMsg::index, Node::molecule, Node::Object(), CollectionMaster::CollectVectorInstance::remaining, and ResizeArray< Elem >::resize().

    {
      AtomID *a = msg->aid;
      Vector *d = msg->data;
      FloatVector *fd = msg->fdata;
      int size = msg->aid_size;
      if ( msg->data_size ) {
        data.resize(max_index);
        Vector *ptr = data.begin();
        for( int i = 0; i < size; ++i ) { ptr[Node::Object()->molecule->get_dcd_selection_index_from_atom_id(msg->index,a[i])] = d[i]; }
      }
      if ( msg->fdata_size ) {
        fdata.resize(max_index);
        FloatVector *ptr = fdata.begin();
        for( int i = 0; i < size; ++i ) { ptr[Node::Object()->molecule->get_dcd_selection_index_from_atom_id(msg->index,a[i])] = fd[i]; }
      }
      --remaining; 
    }

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

• CollectionMaster.h