vtk实战(十九)——读取 PDB数据

本例主要采用vtkPDBReader（）读取PDB数据文件。

#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;
}