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;}