| commit | author | age | ||
| 4df6ed | 1 | #include <stdlib.h> |
| SP | 2 | #include<math.h> |
| 3 | #include "general.h" | |
| 2c4278 | 4 | #include "energy.h" |
| SP | 5 | |
| 4df6ed | 6 | char plugin_name[] = "Stretching energy"; |
| SP | 7 | char plugin_description[]= "Plugin adds stretching energy to Monte Carlo steps"; |
| 8 | char plugin_author[] = "SAMO PENIC"; | |
| 9 | ||
| 10 | typedef struct { | |
| 11 | ts_double dstretchenergy; | |
| 12 | } plugin_data; | |
| 13 | ||
| 14 | ts_plugin_details *init (){ | |
| 15 | ts_plugin_details *details=(ts_plugin_details *)calloc(1,sizeof(ts_plugin_details)); | |
| 16 | details->name = plugin_name; | |
| 17 | details->data = (plugin_data *)calloc(1,sizeof(plugin_data)); //storing data | |
| 18 | return details; | |
| 19 | } | |
| 20 | ||
| 21 | void vm_energy_before_prepare(ts_vesicle *vesicle, ts_vertex *vtx){ | |
| 22 | if(vesicle->tape->stretchswitch==1){ | |
| 23 | plugin_data *data=(plugin_data *)vesicle->plist->pointer->plugin->details->data; | |
| 24 | ts_uint i; | |
| 25 | data->dstretchenergy=0.0; | |
| 26 | for(i=0;i<vtx->tristar_no;i++) data->dstretchenergy-=vtx->tristar[i]->energy; | |
| 27 | } | |
| 28 | } | |
| 29 | ||
| 30 | ts_double vm_energy_after_execute(ts_vesicle *vesicle, ts_vertex *vtx){ | |
| 31 | //stretching energy 2 of 3 | |
| 32 | if(vesicle->tape->stretchswitch==1){ | |
| 33 | plugin_data *data=(plugin_data *)vesicle->plist->pointer->plugin->details->data; | |
| 34 | ts_uint i; | |
| 35 | for(i=0;i<vtx->tristar_no;i++){ | |
| 36 | stretchenergy(vesicle, vtx->tristar[i]); | |
| 37 | data->dstretchenergy+=vtx->tristar[i]->energy; | |
| 38 | } | |
| 2c4278 | 39 | return data->dstretchenergy; |
| 4df6ed | 40 | } |
| 2c4278 | 41 | return 0.0; |
| 4df6ed | 42 | } |
| SP | 43 | |
| 44 | void vm_new_state_rejected(ts_vesicle *vesicle, ts_vertex *vtx, ts_vertex *old_vtx){ | |
| 45 | //stretching energy 3 of 3 | |
| 46 | if(vesicle->tape->stretchswitch==1){ | |
| 47 | ts_uint i; | |
| 48 | for(i=0;i<vtx->tristar_no;i++){ | |
| 49 | stretchenergy(vesicle,vtx->tristar[i]); | |
| 50 | } | |
| 51 | } | |
| 52 | } | |
