91 lines
3.1 KiB
C
91 lines
3.1 KiB
C
#include <stdio.h>
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#include <stdlib.h>
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#include <atom.h>
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int write_local_atoms_to_vtk_file(const char* filename, Atom* atom, int timestep) {
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char timestep_filename[128];
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snprintf(timestep_filename, sizeof timestep_filename, "%s_local_%d.vtk", filename, timestep);
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FILE* fp = fopen(timestep_filename, "wb");
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if(fp == NULL) {
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fprintf(stderr, "Could not open VTK file for writing!\n");
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return -1;
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}
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fprintf(fp, "# vtk DataFile Version 2.0\n");
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fprintf(fp, "Particle data\n");
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fprintf(fp, "ASCII\n");
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fprintf(fp, "DATASET UNSTRUCTURED_GRID\n");
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fprintf(fp, "POINTS %d double\n", atom->Nlocal);
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for(int ci = 0; ci < atom->Nclusters_local; ++ci) {
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MD_FLOAT *cptr = cluster_pos_ptr(ci);
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for(int cii = 0; cii < atom->clusters[ci].natoms; ++cii) {
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fprintf(fp, "%.4f %.4f %.4f\n", cluster_x(cptr, cii), cluster_y(cptr, cii), cluster_z(cptr, cii));
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}
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}
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fprintf(fp, "\n\n");
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fprintf(fp, "CELLS %d %d\n", atom->Nlocal, atom->Nlocal * 2);
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for(int i = 0; i < atom->Nlocal; ++i) {
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fprintf(fp, "1 %d\n", i);
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}
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fprintf(fp, "\n\n");
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fprintf(fp, "CELL_TYPES %d\n", atom->Nlocal);
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for(int i = 0; i < atom->Nlocal; ++i) {
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fprintf(fp, "1\n");
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}
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fprintf(fp, "\n\n");
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fprintf(fp, "POINT_DATA %d\n", atom->Nlocal);
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fprintf(fp, "SCALARS mass double\n");
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fprintf(fp, "LOOKUP_TABLE default\n");
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for(int i = 0; i < atom->Nlocal; i++) {
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fprintf(fp, "1.0\n");
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}
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fprintf(fp, "\n\n");
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fclose(fp);
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return 0;
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}
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int write_ghost_atoms_to_vtk_file(const char* filename, Atom* atom, int timestep) {
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char timestep_filename[128];
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snprintf(timestep_filename, sizeof timestep_filename, "%s_ghost_%d.vtk", filename, timestep);
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FILE* fp = fopen(timestep_filename, "wb");
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if(fp == NULL) {
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fprintf(stderr, "Could not open VTK file for writing!\n");
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return -1;
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}
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fprintf(fp, "# vtk DataFile Version 2.0\n");
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fprintf(fp, "Particle data\n");
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fprintf(fp, "ASCII\n");
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fprintf(fp, "DATASET UNSTRUCTURED_GRID\n");
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fprintf(fp, "POINTS %d double\n", atom->Nghost);
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for(int ci = atom->Nclusters_local; ci < atom->Nclusters_local + atom->Nclusters_ghost; ++ci) {
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MD_FLOAT *cptr = cluster_pos_ptr(ci);
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for(int cii = 0; cii < atom->clusters[ci].natoms; ++cii) {
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fprintf(fp, "%.4f %.4f %.4f\n", cluster_x(cptr, cii), cluster_y(cptr, cii), cluster_z(cptr, cii));
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}
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}
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fprintf(fp, "\n\n");
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fprintf(fp, "CELLS %d %d\n", atom->Nghost, atom->Nghost * 2);
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for(int i = 0; i < atom->Nghost; ++i) {
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fprintf(fp, "1 %d\n", i);
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}
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fprintf(fp, "\n\n");
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fprintf(fp, "CELL_TYPES %d\n", atom->Nghost);
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for(int i = 0; i < atom->Nghost; ++i) {
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fprintf(fp, "1\n");
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}
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fprintf(fp, "\n\n");
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fprintf(fp, "POINT_DATA %d\n", atom->Nghost);
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fprintf(fp, "SCALARS mass double\n");
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fprintf(fp, "LOOKUP_TABLE default\n");
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for(int i = 0; i < atom->Nghost; i++) {
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fprintf(fp, "1.0\n");
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}
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fprintf(fp, "\n\n");
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fclose(fp);
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return 0;
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}
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