KNGeometricUnitCellInfo_cubic.cpp

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#include "stdafx.h"
#include "KNGeometricUnitCellInfo_cubic.h"


CKNGeometricUnitCellInfo_cubic::CKNGeometricUnitCellInfo_cubic()
{
}

CKNGeometricUnitCellInfo_cubic::~CKNGeometricUnitCellInfo_cubic()
{
}

void CKNGeometricUnitCellInfo_cubic::SetAtomCoordination()
{
    IKNGeometricUnitCellInfo::SetAtomCoordination(CKNGeometricAtom::A, m_UnitCellSize[0], m_UnitCellSize[1], m_UnitCellSize[2]);
}

void CKNGeometricUnitCellInfo_cubic::SetNeighborCoordination()
{
    IKNGeometricUnitCellInfo::SetNeighborCoordination(CKNGeometricAtom::A2C, m_UnitCellSize[0], 0.0, 0.0);
    IKNGeometricUnitCellInfo::SetNeighborCoordination(CKNGeometricAtom::A2C, -1 * m_UnitCellSize[0], 0.0, 0.0);
    IKNGeometricUnitCellInfo::SetNeighborCoordination(CKNGeometricAtom::A2C, 0.0, m_UnitCellSize[1], 0.0);
    IKNGeometricUnitCellInfo::SetNeighborCoordination(CKNGeometricAtom::A2C, 0.0, -1*m_UnitCellSize[1], 0.0);
    IKNGeometricUnitCellInfo::SetNeighborCoordination(CKNGeometricAtom::A2C, 0.0, 0.0, m_UnitCellSize[2]);
    IKNGeometricUnitCellInfo::SetNeighborCoordination(CKNGeometricAtom::A2C, 0.0, 0.0, -1*m_UnitCellSize[2]);
}

void CKNGeometricUnitCellInfo_cubic::SetUnitCellSize(double fUnitcellSize[3])
{
    m_UnitCellSize[0] = fUnitcellSize[0];
    m_UnitCellSize[1] = fUnitcellSize[1];
    m_UnitCellSize[2] = fUnitcellSize[2];
}