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lammps/tools/smd/dump2vtk_tris.cpp
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dump2vtk_tris.cpp
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/*
* convert a LAMMPS / Smooth-Mach Dynamics triangle output file into a VTK unstructured grid file.
* LAMMPS output file contains STL triangle vertices
*
* ASSUMPTIONS:
*
* A compute exists for and STL triangulated surface, which computes the triangl vertices with a command like this:
* compute F tri_group smd/triangle_vertices
* c_F[1-9] now hold the triangle vertices.
*
* LAMMPS dump file has the following entries per atom line:
* id type mol x y z c_F[1] c_F[2] c_F[3] c_F[4] c_F[5] c_F[6] c_F[7] c_F[8] c_F[9]
*
*/
#include <vtkVersion.h>
#include <vtkSmartPointer.h>
#include <vtkTriangle.h>
#include <vtkCellArray.h>
#include <vtkXMLUnstructuredGridReader.h>
#include <vtkDataSetMapper.h>
#include <vtkActor.h>
#include <vtkRenderer.h>
#include <vtkRenderWindow.h>
#include <vtkRenderWindowInteractor.h>
#include <vtkXMLUnstructuredGridWriter.h>
#include <vtkUnstructuredGridWriter.h>
#include <vtkUnstructuredGrid.h>
#include <vtkPointData.h>
#include <iostream>
#include <fstream>
#include <sstream>
#include <vector>
#include <algorithm>
#include <iterator>
using namespace std;
#define RENDER 0 // switch on / off rendering of snapshots
void WriteVTU(std::string filename, int ntime, vtkSmartPointer<vtkUnstructuredGrid> unstructuredGrid) {
vtkSmartPointer<vtkXMLUnstructuredGridWriter> writer = vtkSmartPointer<vtkXMLUnstructuredGridWriter>::New();
// create filename with the current timestep
std::ostringstream oss;
oss << ntime;
filename += "." + oss.str() + ".vtu";
writer->SetFileName(filename.c_str());
#if VTK_MAJOR_VERSION <= 5
writer->SetInput(unstructuredGrid);
#else
writer->SetInputData(unstructuredGrid);
#endif
writer->Write();
}
void WriteVTK(std::string filename, int ntime, vtkSmartPointer<vtkUnstructuredGrid> unstructuredGrid) {
vtkSmartPointer<vtkUnstructuredGridWriter> writer = vtkSmartPointer<vtkUnstructuredGridWriter>::New();
// create filename with the current timestep
std::ostringstream oss;
oss << ntime;
filename += "_" + oss.str() + ".vtk";
writer->SetFileName(filename.c_str());
#if VTK_MAJOR_VERSION <= 5
writer->SetInput(unstructuredGrid);
#else
writer->SetInputData(unstructuredGrid);
#endif
writer->Write();
}
int main(int argc, char *argv[]) {
string line;
vtkSmartPointer<vtkPoints> points;
vtkSmartPointer<vtkCellArray> vertices;
vtkSmartPointer<vtkCellArray> cellArray;
vtkIdType id_v1, id_v2, id_v3;
vtkSmartPointer<vtkTriangle> tri = vtkSmartPointer<vtkTriangle>::New(); // create an empty tri;
vtkSmartPointer<vtkUnstructuredGrid> unstructuredGrid;
unstructuredGrid = vtkSmartPointer<vtkUnstructuredGrid>::New();
// Parse command line arguments
if (argc != 3) {
std::cout << "Required arguments: InputFilename OutputFile_Basename"
<< std::endl;
return EXIT_FAILURE;
}
std::string lammps_dump = argv[1];
std::string filename = argv[2];
ifstream myfile(lammps_dump.c_str());
int nlines_read = 0;
int count = -1;
int ntime;
int N; // number of atoms in this timestep
int id, type, mol;
double x, y, z, v1x, v1y, v1z, v2x, v2y, v2z, v3x, v3y, v3z;
if (myfile.is_open()) {
while (getline(myfile, line)) {
std::size_t found = line.find("TIMESTEP");
if (found != std::string::npos) {
cout << line << endl;
count = 0;
nlines_read = 0;
// reinitialize VTK arrays so they are empty
points = vtkSmartPointer<vtkPoints>::New();
vertices = vtkSmartPointer<vtkCellArray>::New();
cellArray = vtkSmartPointer<vtkCellArray>::New();
}
if (count >= 0)
count++;
if (count == 2) {
istringstream convert(line);
convert >> ntime;
cout << "timestep is: " << ntime << endl;
}
if (count == 4) {
istringstream convert(line);
convert >> N;
cout << "number of particles is: " << N << endl;
}
if (count > 9) {
//cout << line << endl;
//const vector<string> words = split(line, " ");
std::istringstream is(line);
std::istream_iterator<float> eos;
std::vector<float> out(std::istream_iterator<float>(is), eos);
/*
* we expect the following entries in a data line:
* id type mol x y z v1x v1y v1z v2x v2y v2z v3x v3y v3z
*/
id = out[0];
type = out[1];
mol = out[2];
x = out[3]; // triangle center
y = out[4];
z = out[5];
v1x = out[6]; // triangle vertex 1
v1y = out[7];
v1z = out[8];
v2x = out[9]; // triangle vertex 2
v2y = out[10];
v2z = out[11];
v3x = out[12]; // triangle vertex 3
v3y = out[13];
v3z = out[14];
id_v1 = points->InsertNextPoint(v1x, v1y, v1z); // store tri vertices in points array and retain indices
id_v2 = points->InsertNextPoint(v2x, v2y, v2z);
id_v3 = points->InsertNextPoint(v3x, v3y, v3z);
tri->GetPointIds()->SetId(0, id_v1); // fill triangle with retained indices
tri->GetPointIds()->SetId(1, id_v2);
tri->GetPointIds()->SetId(2, id_v3);
cellArray->InsertNextCell(tri); // insert tri into array of cells
nlines_read += 1;
}
if (count % (9 + N) == 0) { // we have reached the end of this snapshot
printf(
"----------------------------------------------------\n");
printf("number of lines read from lammps dump file: %d\n",
nlines_read);
unstructuredGrid->SetPoints(points);
unstructuredGrid->SetCells(VTK_TRIANGLE, cellArray);
WriteVTK(filename, ntime, unstructuredGrid);
// if (ntime > 100) {
// return 0;
// }
#if RENDER == 1
// Read and display file for verification that it was written correclty
vtkSmartPointer<vtkXMLUnstructuredGridReader> reader =
vtkSmartPointer<vtkXMLUnstructuredGridReader>::New();
reader->SetFileName(filename.c_str());
reader->Update();
vtkSmartPointer<vtkDataSetMapper> mapper = vtkSmartPointer<
vtkDataSetMapper>::New();
mapper->SetInputConnection(reader->GetOutputPort());
vtkSmartPointer<vtkActor> actor =
vtkSmartPointer<vtkActor>::New();
actor->SetMapper(mapper);
vtkSmartPointer<vtkRenderer> renderer = vtkSmartPointer<
vtkRenderer>::New();
vtkSmartPointer<vtkRenderWindow> renderWindow = vtkSmartPointer<
vtkRenderWindow>::New();
renderWindow->AddRenderer(renderer);
vtkSmartPointer<vtkRenderWindowInteractor> renderWindowInteractor =
vtkSmartPointer<vtkRenderWindowInteractor>::New();
renderWindowInteractor->SetRenderWindow(renderWindow);
renderer->AddActor(actor);
renderer->SetBackground(.3, .6, .3); // Background color green
renderWindow->Render();
renderWindowInteractor->Start();
#endif
}
}
myfile.close();
} else {
cout << "Unable to open file";
}
return EXIT_SUCCESS;
}
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