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89 lines
2.7 KiB
C++
89 lines
2.7 KiB
C++
/*=========================================================================
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Program: Visualization Toolkit
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Module: vtkAtom.cxx
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Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
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All rights reserved.
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See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
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This software is distributed WITHOUT ANY WARRANTY; without even
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the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
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PURPOSE. See the above copyright notice for more information.
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=========================================================================*/
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#include "vtkAtom.h"
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#include "vtkMolecule.h"
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#include "vtkVector.h"
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#include "vtkVectorOperators.h"
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#include <cassert>
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//----------------------------------------------------------------------------
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vtkAtom::vtkAtom(vtkMolecule *parent, vtkIdType id)
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: Molecule(parent), Id(id)
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{
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assert(parent != 0);
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assert(id < parent->GetNumberOfAtoms());
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}
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//----------------------------------------------------------------------------
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void vtkAtom::PrintSelf(ostream &os, vtkIndent indent)
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{
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os << indent << "Molecule: " << this->Molecule
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<< " Id: " << this->Id
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<< " Element: " << this->GetAtomicNumber()
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<< " Position: " << this->GetPosition() << endl;
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}
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//----------------------------------------------------------------------------
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unsigned short vtkAtom::GetAtomicNumber() const
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{
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return this->Molecule->GetAtomAtomicNumber(this->Id);
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}
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//----------------------------------------------------------------------------
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void vtkAtom::SetAtomicNumber(unsigned short atomicNum)
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{
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this->Molecule->SetAtomAtomicNumber(this->Id, atomicNum);
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}
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//----------------------------------------------------------------------------
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void vtkAtom::GetPosition(float pos[3]) const
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{
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this->Molecule->GetAtomPosition(this->Id, pos);
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}
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//----------------------------------------------------------------------------
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void vtkAtom::GetPosition(double pos[3]) const
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{
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vtkVector3f position = this->GetPosition();
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pos[0] = position.GetX();
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pos[1] = position.GetY();
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pos[2] = position.GetZ();
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}
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//----------------------------------------------------------------------------
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void vtkAtom::SetPosition(const float pos[3])
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{
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this->Molecule->SetAtomPosition(this->Id, vtkVector3f(pos));
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}
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//----------------------------------------------------------------------------
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void vtkAtom::SetPosition(float x, float y, float z)
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{
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this->Molecule->SetAtomPosition(this->Id, x, y, z);
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}
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//----------------------------------------------------------------------------
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vtkVector3f vtkAtom::GetPosition() const
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{
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return this->Molecule->GetAtomPosition(this->Id);
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}
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//----------------------------------------------------------------------------
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void vtkAtom::SetPosition(const vtkVector3f &pos)
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{
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this->Molecule->SetAtomPosition(this->Id, pos);
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}
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