| commit | author | age | ||
| 4df6ed | 1 | #include <stdlib.h> |
| SP | 2 | #include<math.h> |
| 3 | ||
| 4 | #include "general.h" | |
| 2c4278 | 5 | #include "energy.h" |
| SP | 6 | |
| 4df6ed | 7 | char plugin_name[] = "Stretching energy"; |
| SP | 8 | char plugin_description[]= "Plugin adds stretching energy to Monte Carlo steps"; |
| 9 | char plugin_author[] = "SAMO PENIC"; | |
| 10 | ||
| 11 | ||
| 12 | typedef struct { | |
| 13 | ts_double dstretchenergy; | |
| 14 | ts_double A0; | |
| 15 | ts_double epsarea; | |
| 16 | } plugin_data; | |
| 17 | ||
| 18 | ||
| 19 | ts_plugin_details *init (){ | |
| 20 | ts_plugin_details *details=(ts_plugin_details *)calloc(1,sizeof(ts_plugin_details)); | |
| 21 | details->name = plugin_name; | |
| 22 | details->data = (plugin_data *)calloc(1,sizeof(plugin_data)); //storing data | |
| 23 | return details; | |
| 24 | } | |
| 25 | ||
| 26 | ||
| 27 | /* | |
| 28 | ts_vesicle *after_vesicle_init(ts_vesicle *vesicle){ | |
| 29 | plugin_data *data=(plugin_data *)vesicle->plist->pointer->plugin->details->data; | |
| 30 | ts_fprintf(stdout,"area volume initialized\n"); | |
| 31 | centermass(vesicle); | |
| 32 | cell_occupation(vesicle); | |
| 33 | vesicle_area(vesicle); | |
| 34 | data->A0=vesicle->area; | |
| 35 | data->epsarea=data->A0/(ts_double)vesicle->tlist->n; | |
| 36 | return vesicle; | |
| 37 | } | |
| 38 | */ | |
| 39 | ||
| 40 | void vm_energy_before_prepare(ts_vesicle *vesicle, ts_vertex *vtx){ | |
| 41 | if(vesicle->tape->stretchswitch==1){ | |
| 42 | plugin_data *data=(plugin_data *)vesicle->plist->pointer->plugin->details->data; | |
| 43 | ts_uint i; | |
| 44 | data->dstretchenergy=0.0; | |
| 45 | for(i=0;i<vtx->tristar_no;i++) data->dstretchenergy-=vtx->tristar[i]->energy; | |
| 46 | } | |
| 47 | } | |
| 48 | ||
| 49 | ||
| 50 | ts_double vm_energy_after_execute(ts_vesicle *vesicle, ts_vertex *vtx){ | |
| 51 | //stretching energy 2 of 3 | |
| 52 | if(vesicle->tape->stretchswitch==1){ | |
| 53 | plugin_data *data=(plugin_data *)vesicle->plist->pointer->plugin->details->data; | |
| 54 | ts_uint i; | |
| 55 | for(i=0;i<vtx->tristar_no;i++){ | |
| 56 | stretchenergy(vesicle, vtx->tristar[i]); | |
| 57 | data->dstretchenergy+=vtx->tristar[i]->energy; | |
| 58 | } | |
| 2c4278 | 59 | return data->dstretchenergy; |
| 4df6ed | 60 | } |
| 2c4278 | 61 | return 0.0; |
| 4df6ed | 62 | } |
| SP | 63 | |
| 64 | ||
| 65 | ||
| 66 | void vm_new_state_rejected(ts_vesicle *vesicle, ts_vertex *vtx, ts_vertex *old_vtx){ | |
| 67 | //stretching energy 3 of 3 | |
| 68 | if(vesicle->tape->stretchswitch==1){ | |
| 69 | ts_uint i; | |
| 70 | for(i=0;i<vtx->tristar_no;i++){ | |
| 71 | stretchenergy(vesicle,vtx->tristar[i]); | |
| 72 | } | |
| 73 | } | |
| 74 | } | |
