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