| commit | author | age | ||
| d7639a | 1 | #include<stdlib.h> |
| SP | 2 | #include<stdio.h> |
| aec47d | 3 | #include<math.h> |
| SP | 4 | //#include "io.h" |
| 5 | #include "general.h" | |
| 6 | #include "timestep.h" | |
| 7 | #include "vertexmove.h" | |
| 30ee9c | 8 | #include "bondflip.h" |
| d7a113 | 9 | #include "frame.h" |
| SP | 10 | #include "io.h" |
| 37d14a | 11 | #include "stats.h" |
| fedf2b | 12 | |
| 626811 | 13 | ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations, ts_uint start_iteration){ |
| d7a113 | 14 | ts_uint i, j; |
| 37d14a | 15 | ts_double l1,l2,l3,volume=0.0,area=0.0,vmsr,bfsr, vmsrt, bfsrt; |
| SP | 16 | ts_ulong epochtime; |
| fe24d2 | 17 | // char filename[255]; |
| 37d14a | 18 | FILE *fd=fopen("statistics.csv","w"); |
| SP | 19 | if(fd==NULL){ |
| 20 | fatal("Cannot open statistics.csv file for writing",1); | |
| 21 | } | |
| 22 | fprintf(fd, "Epoch OuterLoop VertexMoveSucessRate BondFlipSuccessRate Volume Area lamdba1 lambda2 lmabda3\n"); | |
| d7a113 | 23 | centermass(vesicle); |
| SP | 24 | cell_occupation(vesicle); |
| 626811 | 25 | if(start_iteration<inititer) ts_fprintf(stdout, "Starting simulation (first %d x %d MC sweeps will not be recorded on disk)\n", inititer, mcsweeps); |
| SP | 26 | for(i=start_iteration;i<inititer+iterations;i++){ |
| 37d14a | 27 | vmsr=0.0; |
| SP | 28 | bfsr=0.0; |
| d7a113 | 29 | for(j=0;j<mcsweeps;j++){ |
| 37d14a | 30 | single_timestep(vesicle, &vmsrt, &bfsrt); |
| SP | 31 | vmsr+=vmsrt; |
| 32 | bfsr+=bfsrt; | |
| d7a113 | 33 | } |
| 37d14a | 34 | vmsr/=(ts_double)mcsweeps; |
| SP | 35 | bfsr/=(ts_double)mcsweeps; |
| d7a113 | 36 | centermass(vesicle); |
| SP | 37 | cell_occupation(vesicle); |
| f8e6ba | 38 | ts_fprintf(stdout,"Done %d out of %d iterations (x %d MC sweeps).\n",i+1,inititer+iterations,mcsweeps); |
| 1ab449 | 39 | dump_state(vesicle,i); |
| 58230a | 40 | if(i>=inititer){ |
| d7a113 | 41 | write_vertex_xml_file(vesicle,i-inititer); |
| 37d14a | 42 | write_master_xml_file("test.pvd"); |
| SP | 43 | epochtime=get_epoch(); |
| 44 | gyration_eigen(vesicle, &l1, &l2, &l3); | |
| 45 | get_area_volume(vesicle, &area,&volume); | |
| 46 | fprintf(fd, "%lu %u %e %e %e %e %e %e %e\n",epochtime,i,vmsr,bfsr,volume, area,l1,l2,l3); | |
| 47 | ||
| 144784 | 48 | // sprintf(filename,"timestep-%05d.pov",i-inititer); |
| fe24d2 | 49 | // write_pov_file(vesicle,filename); |
| d7a113 | 50 | } |
| SP | 51 | } |
| 37d14a | 52 | fclose(fd); |
| d7a113 | 53 | return TS_SUCCESS; |
| SP | 54 | } |
| d7639a | 55 | |
| 37d14a | 56 | ts_bool single_timestep(ts_vesicle *vesicle,ts_double *vmsr, ts_double *bfsr){ |
| d7639a | 57 | ts_bool retval; |
| SP | 58 | ts_double rnvec[3]; |
| fedf2b | 59 | ts_uint i,j,b; |
| 37d14a | 60 | ts_uint vmsrcnt=0; |
| aec47d | 61 | for(i=0;i<vesicle->vlist->n;i++){ |
| d7639a | 62 | rnvec[0]=drand48(); |
| SP | 63 | rnvec[1]=drand48(); |
| 64 | rnvec[2]=drand48(); | |
| aec47d | 65 | retval=single_verticle_timestep(vesicle,vesicle->vlist->vtx[i],rnvec); |
| 37d14a | 66 | if(retval==TS_SUCCESS) vmsrcnt++; |
| d7639a | 67 | } |
| SP | 68 | |
| 37d14a | 69 | ts_int bfsrcnt=0; |
| fedf2b | 70 | for(i=0;i<3*vesicle->vlist->n;i++){ |
| 142a67 | 71 | b=rand() % vesicle->blist->n; |
| d7639a | 72 | //find a bond and return a pointer to a bond... |
| SP | 73 | //call single_bondflip_timestep... |
| 142a67 | 74 | retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec); |
| 37d14a | 75 | if(retval==TS_SUCCESS) bfsrcnt++; |
| fedf2b | 76 | } |
| M | 77 | |
| 78 | for(i=0;i<vesicle->poly_list->n;i++){ | |
| 58230a | 79 | for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){ |
| M | 80 | rnvec[0]=drand48(); |
| 81 | rnvec[1]=drand48(); | |
| 82 | rnvec[2]=drand48(); | |
| 83 | retval=single_poly_vertex_move(vesicle,vesicle->poly_list->poly[i],vesicle->poly_list->poly[i]->vlist->vtx[j],rnvec); | |
| 84 | } | |
| fedf2b | 85 | } |
| M | 86 | |
| 58230a | 87 | |
| M | 88 | for(i=0;i<vesicle->filament_list->n;i++){ |
| 89 | for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){ | |
| 90 | rnvec[0]=drand48(); | |
| 91 | rnvec[1]=drand48(); | |
| 92 | rnvec[2]=drand48(); | |
| 93 | retval=single_filament_vertex_move(vesicle,vesicle->filament_list->poly[i],vesicle->filament_list->poly[i]->vlist->vtx[j],rnvec); | |
| 94 | } | |
| fedf2b | 95 | } |
| M | 96 | |
| 58230a | 97 | |
| fedf2b | 98 | // printf("Bondflip success rate in one sweep: %d/%d=%e\n", cnt,3*vesicle->blist->n,(double)cnt/(double)vesicle->blist->n/3.0); |
| 37d14a | 99 | *vmsr=(ts_double)vmsrcnt/(ts_double)vesicle->vlist->n; |
| SP | 100 | *bfsr=(ts_double)bfsrcnt/(ts_double)vesicle->vlist->n/3.0; |
| d7639a | 101 | return TS_SUCCESS; |
| SP | 102 | } |
| 103 | ||
| 104 | ||
| 105 | ||
