vtk实战(十九)——读取 PDB数据

#include <vtkSmartPointer.h>
#include <cmath>
#include <vtkGlyph3D.h>
#include <vtkLODActor.h>
#include <vtkLODActor.h>
#include <vtkPDBReader.h>
#include <vtkPolyDataMapper.h>
#include <vtkPolyDataMapper.h>
#include <vtkProperty.h>
#include <vtkRenderWindow.h>
#include <vtkRenderWindowInteractor.h>
#include <vtkRenderer.h>
#include <vtkSphereSource.h>
#include <vtkTubeFilter.h>

int main()
{

vtkSmartPointer<vtkRenderer> renderer =
vtkSmartPointer<vtkRenderer>::New();
renderer->SetBackground(.1, .2, .3);
vtkSmartPointer<vtkRenderWindow> renderWindow =
vtkSmartPointer<vtkRenderWindow>::New();
renderWindow->AddRenderer(renderer);
renderWindow->SetSize(300, 300);
vtkSmartPointer<vtkRenderWindowInteractor> interactor =
vtkSmartPointer<vtkRenderWindowInteractor>::New();
interactor->SetRenderWindow(renderWindow);

vtkSmartPointer<vtkPDBReader> pdb =
vtkSmartPointer<vtkPDBReader>::New();
char * fileName = "caffeine.pdb";
pdb->SetFileName(fileName);
pdb->SetHBScale(1.0);
pdb->SetBScale(1.0);
pdb->Update();
std::cout << "# of atoms is: " << pdb->GetNumberOfAtoms() << std::endl;

double resolution = std::sqrt(300000.0 / pdb->GetNumberOfAtoms());
if (resolution > 20)
{
resolution = 20;
}
if (resolution < 4)
{
resolution = 4;
}
std::cout << "Resolution is: " << resolution << std::endl;
vtkSmartPointer<vtkSphereSource> sphere =
vtkSmartPointer<vtkSphereSource>::New();
sphere->SetCenter(0, 0, 0);
sphere->SetRadius(1);
sphere->SetThetaResolution(static_cast<int>(resolution));
sphere->SetPhiResolution(static_cast<int>(resolution));

vtkSmartPointer<vtkGlyph3D> glyph =
vtkSmartPointer<vtkGlyph3D>::New();
glyph->SetInputConnection(pdb->GetOutputPort());
glyph->SetOrient(1);
glyph->SetColorMode(1);
glyph->SetScaleMode(2);
glyph->SetScaleFactor(.25);
glyph->SetSourceConnection(sphere->GetOutputPort());

vtkSmartPointer<vtkPolyDataMapper> atomMapper =
vtkSmartPointer<vtkPolyDataMapper>::New();
atomMapper->SetInputConnection(glyph->GetOutputPort());
atomMapper->ImmediateModeRenderingOn();
atomMapper->UseLookupTableScalarRangeOff();
atomMapper->ScalarVisibilityOn();
atomMapper->SetScalarModeToDefault();

vtkSmartPointer<vtkLODActor> atom =
vtkSmartPointer<vtkLODActor>::New();
atom->SetMapper(atomMapper);
atom->GetProperty()->SetRepresentationToSurface();
atom->GetProperty()->SetInterpolationToGouraud();
atom->GetProperty()->SetAmbient(0.15);
atom->GetProperty()->SetDiffuse(0.85);
atom->GetProperty()->SetSpecular(0.1);
atom->GetProperty()->SetSpecularPower(30);
atom->GetProperty()->SetSpecularColor(1, 1, 1);
atom->SetNumberOfCloudPoints(30000);

renderer->AddActor(atom);

vtkSmartPointer<vtkTubeFilter> tube =
vtkSmartPointer<vtkTubeFilter>::New();
tube->SetInputConnection(pdb->GetOutputPort());
tube->SetNumberOfSides(static_cast<int>(resolution));
tube->CappingOff();
tube->SetRadius(0.2);
tube->SetVaryRadius(0);
tube->SetRadiusFactor(10);

vtkSmartPointer<vtkPolyDataMapper> bondMapper =
vtkSmartPointer<vtkPolyDataMapper>::New();
bondMapper->SetInputConnection(tube->GetOutputPort());
bondMapper->ImmediateModeRenderingOn();
bondMapper->UseLookupTableScalarRangeOff();
bondMapper->ScalarVisibilityOff();
bondMapper->SetScalarModeToDefault();

vtkSmartPointer<vtkLODActor> bond =
vtkSmartPointer<vtkLODActor>::New();
bond->SetMapper(bondMapper);
bond->GetProperty()->SetRepresentationToSurface();
bond->GetProperty()->SetInterpolationToGouraud();
bond->GetProperty()->SetAmbient(0.15);
bond->GetProperty()->SetDiffuse(0.85);
bond->GetProperty()->SetSpecular(0.1);
bond->GetProperty()->SetSpecularPower(30);
bond->GetProperty()->SetSpecularColor(1, 1, 1);
bond->GetProperty()->SetDiffuseColor(1.0000, 0.8941, 0.70981);
renderer->AddActor(bond);
interactor->Initialize();
interactor->Start();
return 0;
}