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gezelter |
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#ifndef _BASELATTICE_H_ |
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#define _BASELATTICE_H_ |
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#include <vector> |
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#include "Vector3d.hpp" |
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using namespace std; |
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class BaseLattice{ |
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protected: |
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BaseLattice(){ |
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Vector3d zeroVector3d(0.0, 0.0, 0.0); |
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setOrigin(zeroVector3d); |
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} |
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public: |
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//virtual destructor of BaseLattice |
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virtual ~BaseLattice() {} |
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//get lattice type |
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virtual const string getLatticeType() = 0; |
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int getNumSitesPerCell() {return nCellSites;} |
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void getLatticePointsPos(vector<Vector3d>& latticePos, int nx, int ny, int nz); |
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vector<Vector3d> getLatticePointsOrt() {return cellSitesOrt;} |
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//get lattice constant of unit cell |
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virtual vector<double> getLatticeConstant() =0; |
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//set lattice constant of unit cell |
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virtual void setLatticeConstant(const vector<double>& lc)=0; |
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//get origin of unit cell |
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Vector3d getOrigin( ) {return origin;} |
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//set origin of unit cell |
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void setOrigin(const Vector3d& newOrigin){ |
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this->origin = newOrigin; |
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} |
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protected: |
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virtual void update() =0; |
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int nCellSites; |
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Vector3d origin; |
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vector<Vector3d> cellSitesPos; |
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vector<Vector3d> cellSitesOrt; |
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Vector3d cellLen; |
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}; |
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#endif |
