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| | | #include "shcomplex.h" |
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| | | #include "dumpstate.h" |
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| | | #include "restore.h" |
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| | | #include "cluster.h" |
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| | | #include <string.h> |
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| | | #include <getopt.h> |
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| | | #include <sys/stat.h> |
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| | | #include <snapshot.h> |
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| | | #include<gsl/gsl_complex.h> |
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| | | #include<gsl/gsl_complex_math.h> |
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| | | |
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| | | #include<stdio.h> |
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| | | |
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| | | ts_vesicle *restoreVesicle(char *filename){ |
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| | | ts_vesicle *vesicle = parseDump(filename); |
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| | | } |
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| | | int count_bonds_with_energy(ts_bond_list *blist){ |
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| | | |
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| | | unsigned int i, cnt; |
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| | | cnt=0; |
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| | | for(i=0;i<blist->n;i++){ |
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| | | if(fabs(blist->bond[i]->energy)>1e-16) cnt++; |
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| | | } |
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| | | return cnt; |
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| | | } |
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| | | ts_bool write_histogram_data(ts_uint timestep_no, ts_vesicle *vesicle){ |
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| | | ts_cluster_list *cstlist=init_cluster_list(); |
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| | | clusterize_vesicle(vesicle,cstlist); |
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| | | //printf("No clusters=%d\n",cstlist->n); |
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| | | int k,i,cnt, test=0; |
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| | | int max_nvtx=0; |
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| | | char filename[255]; |
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| | | sprintf(filename,"histogram_%.6u.csv",timestep_no); |
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| | | FILE *fd=fopen(filename,"w"); |
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| | | fprintf(fd,"Number_of_vertices_in cluster Number_of_clusters\n"); |
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| | | for(k=0;k<cstlist->n;k++) |
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| | | if(cstlist->cluster[k]->nvtx>max_nvtx) max_nvtx=cstlist->cluster[k]->nvtx; |
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| | | //printf("Max. number of vertices in cluster: %d\n",max_nvtx); |
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| | | for(i=1;i<=max_nvtx;i++){ |
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| | | cnt=0; |
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| | | for(k=0;k<cstlist->n;k++) |
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| | | if(cstlist->cluster[k]->nvtx==i) cnt++; |
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| | | fprintf(fd,"%d %d\n",i,cnt); |
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| | | test+=cnt*i; |
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| | | } |
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| | | //for(k=0;k<cstlist->n;k++){ |
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| | | // printf("*Cluster %d has %d vertices\n",k,cstlist->cluster[k]->nvtx); |
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| | | // } |
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| | | |
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| | | fclose(fd); |
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| | | // printf("*Sum of all vertices in clusters: %d\n", test); |
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| | | // write_vertex_xml_file(vesicle,timestep_no,cstlist); |
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| | | cluster_list_free(cstlist); |
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| | | return TS_SUCCESS; |
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| | | } |
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| | | |
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| | | int main(){ |
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| | | ts_vesicle *vesicle; |
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| | | ts_char *i,*j; |
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| | | ts_uint tstep,n; |
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| | | ts_char *number; |
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| | | struct dirent **list; |
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| | | ts_double l1,l2,l3; |
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| | | ts_double l1,l2,l3,hbar; |
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| | | int count; |
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| | | ts_fprintf(stderr,"TRISURF-NG v. %s, compiled on: %s %s.\n", TS_VERSION, __DATE__, __TIME__); |
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| | | |
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| | | fprintf(stdout, "OuterLoop Volume Area lamdba1 lambda2 lambda3 Nb/Ncb\n"); |
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| | | fprintf(stdout, "OuterLoop Volume Area lamdba1 lambda2 lambda3 Nbw/Nb hbar\n"); |
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| | | |
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| | | count=scandir(".",&list,0,alphasort); |
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| | |
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| | | vesicle_volume(vesicle); |
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| | | vesicle_area(vesicle); |
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| | | gyration_eigen(vesicle,&l1,&l2,&l3); |
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| | | fprintf(stdout,"%d %.17e %.17e %.17e %.17e %.17e\n",atoi(number),vesicle->volume, vesicle->area,l1,l2,l3), |
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| | | hbar=vesicle_meancurvature(vesicle)/vesicle->area; |
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| | | fprintf(stdout,"%d %.17e %.17e %.17e %.17e %.17e %.17e %.17e\n",atoi(number),vesicle->volume, vesicle->area,l1,l2,l3, (ts_double)count_bonds_with_energy(vesicle->blist)/(ts_double)vesicle->blist->n,hbar); |
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| | | tstep++; |
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| | | |
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| | | write_histogram_data(atoi(number), vesicle); |
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| | | free(number); |
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| | | tape_free(vesicle->tape); |
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| | | vesicle_free(vesicle); |
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