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Spherical harmonics should be ok. Note, that there are some difference from...

Samo Penic

2011-03-19 af3bad5b0ffbe0f19b0f85519c85a385326dec03

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d7639a	1	#include<stdlib.h>
SP	2	#include<math.h>
	3	#include<string.h>
	4	#include "general.h"
	5	#include "vertex.h"
a10dd5	6	#include "bond.h"
d7639a	7	#include<stdio.h>
SP	8
73f967	9	ts_vertex_list *init_vertex_list(ts_uint N){
d7639a	10	ts_int i;
a10dd5	11	ts_vertex *tlist;
SP	12	ts_vertex_list vlist=(ts_vertex_list )malloc(sizeof(ts_vertex_list));
73f967	13
d7639a	14	if(N==0){
SP	15	err("Initialized vertex list with zero elements. Pointer set to NULL");
73f967	16	vlist->n=0;
SP	17	vlist->vtx=NULL;
	18	return vlist;
d7639a	19	}
73f967	20
a10dd5	21	vlist->vtx=(ts_vertex *)malloc(Nsizeof(ts_vertex *));
SP	22	tlist=(ts_vertex )malloc(Nsizeof(ts_vertex));
	23	if(vlist->vtx==NULL \|\| tlist==NULL)
73f967	24	fatal("Fatal error reserving memory space for vertex list! Could number of requsted vertices be too large?", 100);
a10dd5	25	for(i=0;i<N;i++) {
SP	26	vlist->vtx[i]=&tlist[i];
	27	vlist->vtx[i]->data=init_vertex_data();
	28	vlist->vtx[i]->idx=i;
	29	}
73f967	30	vlist->n=N;
d7639a	31	return vlist;
SP	32	}
	33
737714	34	ts_vertex_data *init_vertex_data(){
SP	35	ts_vertex_data *data;
a10dd5	36	data=(ts_vertex_data *)calloc(1,sizeof(ts_vertex_data));
737714	37	if(data==NULL)
d7639a	38	fatal("Fatal error reserving memory space for ts_vertex! Memory full?", 100);
737714	39	return data;
d7639a	40	}
SP	41
	42
737714	43	ts_bool vtx_add_neighbour(ts_vertex vtx, ts_vertex nvtx){
d7639a	44	ts_uint i;
SP	45	/* no neighbour can be null! */
	46	if(vtx==NULL \|\| nvtx==NULL) return TS_FAIL;
	47
	48	/if it is already a neighbour don't add it to the list /
737714	49	for(i=0; i<vtx->data->neigh_no;i++){
SP	50	if(vtx->data->neigh[i]==nvtx) return TS_FAIL;
d7639a	51	}
a10dd5	52	ts_uint nn=++vtx->data->neigh_no;
737714	53	vtx->data->neigh=(ts_vertex *)realloc(vtx->data->neigh, nnsizeof(ts_vertex *));
a10dd5	54	vtx->data->neigh[nn-1]=nvtx;
3131dc	55	/* This was a bug in creating DIPYRAMID (the neighbours were not in right
SP	56	* order).
	57	*/
d7639a	58	/* pa se sosedu dodamo vertex */
SP	59	/if it is already a neighbour don't add it to the list /
3131dc	60	/*
737714	61	for(i=0; i<nvtx->data->neigh_no;i++){
SP	62	if(nvtx->data->neigh[i]==vtx) return TS_FAIL;
d7639a	63	}
a10dd5	64	nn=++nvtx->data->neigh_no;
737714	65	nvtx->data->neigh=(ts_vertex *)realloc(nvtx->data->neigh, nnsizeof(ts_vertex *));
a10dd5	66	nvtx->data->neigh[nn-1]=vtx;
3131dc	67	*/
d7639a	68
SP	69	return TS_SUCCESS;
	70	}
a10dd5	71
9802f1	72	/* TODO: optimize this. test this. */
SP	73	ts_bool vtx_remove_neighbour(ts_vertex vtx, ts_vertex nvtx){
	74	/* find a neighbour */
	75	/* remove it from the list while shifting remaining neighbours up */
	76	ts_uint i,j=0;
	77	for(i=0;i<vtx->data->neigh_no;i++){
	78	if(vtx->data->neigh[i]!=nvtx){
	79	vtx->data->neigh[j]=vtx->data->neigh[i];
	80	j++;
	81	}
	82	}
	83	/* resize memory. potentionally time consuming */
	84	vtx->data->neigh_no--;
	85	vtx->data->neigh=(ts_vertex *)realloc(vtx->data->neigh,vtx->data->neigh_nosizeof(ts_vertex *));
	86	if(vtx->data->neigh == NULL && vtx->data->neigh_no!=0)
	87	fatal("Reallocation of memory failed during removal of vertex neighbour in vtx_remove_neighbour",100);
	88
	89	/* repeat for the neighbour */
	90	/* find a neighbour */
	91	/* remove it from the list while shifting remaining neighbours up */
	92	for(i=0;i<nvtx->data->neigh_no;i++){
	93	if(nvtx->data->neigh[i]!=vtx){
	94	nvtx->data->neigh[j]=nvtx->data->neigh[i];
	95	j++;
	96	}
	97	}
	98	/* resize memory. potentionally time consuming. */
	99	nvtx->data->neigh_no--;
	100	nvtx->data->neigh=(ts_vertex *)realloc(nvtx->data->neigh,nvtx->data->neigh_nosizeof(ts_vertex *));
	101	if(nvtx->data->neigh == NULL && nvtx->data->neigh_no!=0)
	102	fatal("Reallocation of memory failed during removal of vertex neighbour in vtx_remove_neighbour",100);
	103
	104	return TS_SUCCESS;
	105	}
7958e9	106
9802f1	107
SP	108
a10dd5	109	ts_bool vtx_add_bond(ts_bond_list blist,ts_vertex vtx1,ts_vertex *vtx2){
SP	110	ts_bond *bond;
	111	bond=bond_add(blist,vtx1,vtx2);
	112	if(bond==NULL) return TS_FAIL;
	113	vtx1->data->bond_no++;
3131dc	114	// vtx2->data->bond_no++;
a10dd5	115
SP	116	vtx1->data->bond=(ts_bond *)realloc(vtx1->data->bond, vtx1->data->bond_nosizeof(ts_bond *));
3131dc	117	// vtx2->data->bond=(ts_bond *)realloc(vtx2->data->bond, vtx2->data->bond_nosizeof(ts_bond *));
a10dd5	118	vtx1->data->bond[vtx1->data->bond_no-1]=bond;
3131dc	119	// vtx2->data->bond[vtx2->data->bond_no-1]=bond;
a10dd5	120	return TS_SUCCESS;
SP	121	}
	122
	123	ts_bool vtx_add_cneighbour(ts_bond_list blist, ts_vertex vtx1, ts_vertex *vtx2){
	124	ts_bool retval;
	125	retval=vtx_add_neighbour(vtx1,vtx2);
	126	if(retval==TS_SUCCESS)
	127	retval=vtx_add_bond(blist,vtx1,vtx2);
	128	return retval;
	129	}
	130
9802f1	131	/TODO: write and optimize this urgently before use! /
SP	132	ts_bool vtx_remove_cneighbour(ts_bond_list blist, ts_vertex vtx1, ts_vertex
	133	*vtx2){
	134	// ts_bool retval;
	135	/* remove the bond */
	136	//retval=vtx_remove_bond(blist,vtx1,vtx2);
	137	/* remove the vertices */
	138	return TS_SUCCESS;
	139	}
a10dd5	140
d7639a	141
SP	142
737714	143	ts_bool vtx_data_free(ts_vertex_data *data){
SP	144	if(data->neigh!=NULL) free(data->neigh);
	145	if(data->tristar!=NULL) free(data->tristar);
	146	if(data->bond!=NULL) free(data->bond);
dac2e5	147	//Cells are freed separately.
SP	148	// if(data->cell!=NULL) free(data->cell);
737714	149	free(data);
SP	150	return TS_SUCCESS;
	151	}
	152
a10dd5	153	/not usable. can be deleted /
737714	154	ts_bool vtx_free(ts_vertex *vtx){
SP	155	vtx_data_free(vtx->data);
	156	free(vtx);
d7639a	157	return TS_SUCCESS;
SP	158	}
	159
73f967	160	ts_bool vtx_list_free(ts_vertex_list *vlist){
SP	161	int i;
	162	for(i=0;i<vlist->n;i++){
b01cc1	163	if(vlist->vtx[i]->data!=NULL) vtx_data_free(vlist->vtx[i]->data);
73f967	164	}
a10dd5	165	free(*(vlist->vtx));
737714	166	free(vlist->vtx);
73f967	167	free(vlist);
SP	168	return TS_SUCCESS;
	169	}
d7639a	170
bb77ca	171	inline ts_double vtx_distance_sq(ts_vertex vtx1, ts_vertex vtx2){
d7639a	172	ts_double dist;
bb77ca	173	ts_vertex_data vd1=vtx1->data, vd2=vtx2->data;
d7639a	174	#ifdef TS_DOUBLE_DOUBLE
bb77ca	175	dist=pow(vd1->x-vd2->x,2) + pow(vd1->y-vd2->y,2) + pow(vd1->z-vd2->z,2);
d7639a	176	#endif
SP	177	#ifdef TS_DOUBLE_LONGDOUBLE
bb77ca	178	dist=powl(vd1->x-vd2->x,2) + powl(vd1->y-vd2->y,2) + powl(vd1->z-vd2->z,2);
d7639a	179	#endif
SP	180	#ifdef TS_DOUBLE_FLOAT
bb77ca	181	dist=powf(vd1->x-vd2->x,2) + powf(vd1->y-vd2->y,2) + powf(vd1->z-vd2->z,2);
d7639a	182	#endif
SP	183	return(dist);
	184	}
bb77ca	185
7958e9	186
SP	187
	188	ts_bool vtx_set_global_values(ts_vesicle *vesicle){
	189	ts_double xk=vesicle->bending_rigidity;
	190	ts_uint i;
	191	for(i=0;i<vesicle->vlist->n;i++){
	192	vesicle->vlist->vtx[i]->data->xk=xk;
	193	}
	194	return TS_SUCCESS;
	195	}
	196
	197	inline ts_double vtx_direct(ts_vertex vtx1, ts_vertex vtx2, ts_vertex *vtx3){
	198	ts_double dX2=vtx2->data->x-vtx1->data->x;
	199	ts_double dY2=vtx2->data->y-vtx1->data->y;
	200	ts_double dZ2=vtx2->data->z-vtx1->data->z;
	201	ts_double dX3=vtx3->data->x-vtx1->data->x;
	202	ts_double dY3=vtx3->data->y-vtx1->data->y;
	203	ts_double dZ3=vtx3->data->z-vtx1->data->z;
	204	ts_double direct=vtx1->data->x(dY2dZ3 -dZ2*dY3)+
	205	vtx1->data->y(dZ2dX3-dX2*dZ3)+
	206	vtx1->data->z(dX2dY3-dY2*dX3);
	207	return(direct);
	208	}
	209
	210
	211	inline ts_bool vertex_add_tristar(ts_vertex vtx, ts_triangle tristarmem){
	212	vtx->data->tristar_no++;
	213	vtx->data->tristar=(ts_triangle *)realloc(vtx->data->tristar,vtx->data->tristar_nosizeof(ts_triangle *));
	214	if(vtx->data->tristar==NULL){
	215	fatal("Reallocation of memory while adding tristar failed.",3);
	216	}
	217	vtx->data->tristar[vtx->data->tristar_no-1]=tristarmem;
	218	return TS_SUCCESS;
	219	}
	220
f74313	221
SP	222	/* ****************************************************************** */
	223	/* *** New vertex copy operations. Inherently they are slow. *** */
	224	/* ****************************************************************** */
	225
b01cc1	226	ts_bool vtx_copy(ts_vertex cvtx, ts_vertex ovtx){
f74313	227	memcpy((void )cvtx,(void )ovtx,sizeof(ts_vertex));
SP	228	cvtx->data=(ts_vertex_data *)malloc(sizeof(ts_vertex_data));
	229	memcpy((void )cvtx->data,(void )ovtx->data,sizeof(ts_vertex_data));
	230	cvtx->data->neigh=NULL;
	231	cvtx->data->neigh_no=0;
	232	cvtx->data->tristar_no=0;
	233	cvtx->data->bond_no=0;
	234	cvtx->data->tristar=NULL;
	235	cvtx->data->bond=NULL;
b01cc1	236	cvtx->data->cell=NULL;
SP	237	return TS_SUCCESS;
f74313	238	}
dac2e5	239
SP	240	ts_bool vtx_duplicate(ts_vertex cvtx, ts_vertex ovtx){
	241	memcpy((void )cvtx,(void )ovtx,sizeof(ts_vertex));
	242	cvtx->data=(ts_vertex_data *)malloc(sizeof(ts_vertex_data));
	243	memcpy((void )cvtx->data,(void )ovtx->data,sizeof(ts_vertex_data));
	244	return TS_SUCCESS;
	245	}
	246
f74313	247	//TODO: needs to be done
SP	248	ts_vertex *vtx_neigh_copy(ts_vertex_list vlist,ts_vertex *ovtx){
	249	return NULL;
	250	}
	251
dac2e5	252
SP	253
f74313	254	ts_vertex_list vertex_list_copy(ts_vertex_list ovlist){
SP	255	ts_uint i;
	256	ts_vertex_list vlist=(ts_vertex_list )malloc(sizeof(ts_vertex_list));
b01cc1	257	vlist=memcpy((void )vlist, (void )ovlist, sizeof(ts_vertex_list));
f74313	258	ts_vertex vtx=(ts_vertex )malloc(vlist->nsizeof(ts_vertex ));
b01cc1	259	ts_vertex tlist=(ts_vertex )calloc(vlist->n,sizeof(ts_vertex));
SP	260	vlist->vtx=vtx;
	261	if(vlist->vtx==NULL \|\| tlist==NULL)
	262	fatal("Fatal error reserving memory space for vertex list! Could number of requsted vertices be too large?", 100);
	263	for(i=0;i<vlist->n;i++) {
	264	vlist->vtx[i]=&tlist[i];
	265	vlist->vtx[i]->idx=i;
	266	vtx_copy(vlist->vtx[i],ovlist->vtx[i]);
f74313	267	}
b01cc1	268
f74313	269	return vlist;
SP	270	}