From a10dd5c18fbf0b6d5746827f7a9ebfc078563d4a Mon Sep 17 00:00:00 2001
From: Samo Penic <samo@andromeda>
Date: Sun, 28 Nov 2010 13:56:21 +0000
Subject: [PATCH] The vertex is complete... Bond is in first version.
---
src/Makefile.am | 2
src/main.c | 16 +++-
src/vertex.c | 55 ++++++++++---
src/bond.h | 6
src/bond.c | 38 +++++++--
src/general.h | 64 ++++++++++-----
src/general.c | 6 +
src/vertex.h | 2
8 files changed, 136 insertions(+), 53 deletions(-)
diff --git a/src/Makefile.am b/src/Makefile.am
index fe95642..c8e124d 100644
--- a/src/Makefile.am
+++ b/src/Makefile.am
@@ -1,5 +1,5 @@
trisurfdir=../
trisurf_PROGRAMS=trisurf
-trisurf_SOURCES=general.c vertex.c main.c
+trisurf_SOURCES=general.c vertex.c bond.c main.c
trisurf_LDFLAGS = -lm -lconfuse
trisurf_CFLAGS = -Wall -g
diff --git a/src/bond.c b/src/bond.c
index 492ad24..289079a 100644
--- a/src/bond.c
+++ b/src/bond.c
@@ -1,24 +1,42 @@
#include<stdlib.h>
#include "general.h"
-#include<stdio.h>
+#include "vertex.h"
-ts_bool init_bond_list(ts_bond_list *blist){
+ts_bond_list *init_bond_list(){
+ ts_bond_list *blist=(ts_bond_list *)malloc(sizeof(ts_bond_list));
blist->n=0;
blist->bond=NULL;
- return TS_SUCCESS;
+ return blist;
}
-ts_bool bond_add(ts_bond_list *blist, ts_vertex *vtx1, ts_vertex *vtx2){
+ts_bond *bond_add(ts_bond_list *blist, ts_vertex *vtx1, ts_vertex *vtx2){
+
+ /* no vertices must be null! */
+ if(vtx1==NULL || vtx2==NULL) return NULL;
+ /* TODO: Verify if the bond already exists... Don't do multiple bonds */
blist->n++;
- blist->bond=realloc(blist->bond,blist->n*sizeof(ts_bond));
- if(blist->bond==NULL) fatal("Cannot reallocate memory for additional *ts_bond.",5);
- //NOW insert vertices!
- blist->bond[blist->n - 1].vtx1=vtx1;
- blist->bond[blist->n - 1].vtx2=vtx2;
- return TS_SUCCESS;
+ blist->bond=(ts_bond **)realloc(blist->bond,blist->n*sizeof(ts_bond *));
+ if(blist->bond==NULL) fatal("Cannot reallocate memory for additional **ts_bond.",100);
+ blist->bond[blist->n-1]=(ts_bond *)malloc(sizeof(ts_bond));
+ if(blist->bond[blist->n-1]==NULL) fatal("Cannot allocate memory for additional *ts_bond.",100);
+ blist->bond[blist->n-1]->data=(ts_bond_data *)malloc(sizeof(ts_bond_data));
+
+ //NOW insert vertices into data!
+ blist->bond[blist->n - 1]->data->vtx1=vtx1;
+ blist->bond[blist->n - 1]->data->vtx2=vtx2;
+
+ //Should we calculate bond length NOW?
+
+ return blist->bond[blist->n-1];
}
ts_bool bond_list_free(ts_bond_list *blist){
+ ts_uint i;
+ for(i=0;i<blist->n;i++){
+ free(blist->bond[i]->data);
+ free(blist->bond[i]);
+ }
free(blist->bond);
+ free(blist);
return TS_SUCCESS;
}
diff --git a/src/bond.h b/src/bond.h
index 4022a6c..e2be586 100644
--- a/src/bond.h
+++ b/src/bond.h
@@ -5,7 +5,7 @@
/** Initialize bond list with zero values
* @param *blist is a pointer to a ts_bond_list structure
*/
-ts_bool init_bond_list(ts_bond_list *blist);
+ts_bond_list *init_bond_list();
/** @brief Adds bond in the bond list
*
@@ -18,9 +18,9 @@
* this is considered as fatal error and execution stops, returning error code to the operating
* system.
*/
-ts_bool bond_add(ts_bond_list *blist, ts_vertex *vtx1, ts_vertex *vtx2);
+ts_bond *bond_add(ts_bond_list *blist, ts_vertex *vtx1, ts_vertex *vtx2);
-
+ts_bool bond_list_free(ts_bond_list *blist);
diff --git a/src/general.c b/src/general.c
index b078f87..ed06398 100644
--- a/src/general.c
+++ b/src/general.c
@@ -3,9 +3,11 @@
#include "general.h"
#include<stdarg.h>
-ts_uint ts_fprintf(FILE *fd, char *fmt, va_list ap){
+ts_uint ts_fprintf(FILE *fd, char *fmt, ...){
if(quiet) return TS_SUCCESS;
-fprintf(fd, fmt, ap); /* Call vprintf */
+ va_list ap;
+ va_start(ap,fmt);
+vfprintf(fd, fmt, ap); /* Call vfprintf */
va_end(ap); /* Cleanup the va_list */
return TS_SUCCESS;
}
diff --git a/src/general.h b/src/general.h
index bd96c7a..1d1371e 100644
--- a/src/general.h
+++ b/src/general.h
@@ -111,24 +111,25 @@
/** @brief Data structure of all data connected to a vertex
*
- * ts_vertex holds the data for one single point (bead, vertex) in the space. To understand how to use it
+ * ts_vertex_data holds the data for one single point (bead, vertex). To understand how to use it
* here is a detailed description of the fields in the data structure. */
struct ts_vertex_data {
- ts_uint idx; /**< Represents index of the vertex point. Should become obsolete in C. */
- ts_double x; /**< The x coordinate of vertex. */
+ ts_uint idx; /**< Represents index of the vertex point. Should become obsolete, since it is also present in ts_vertex structure. */
+ ts_double x; /**< The x coordinate of vertex. */
ts_double y; /**< The y coordinate of vertex. */
ts_double z; /**< The z coordinate of vertex. */
ts_uint neigh_no; /**< The number of neighbours. */
- struct ts_vertex **neigh; /**< The pointer that holds neigh_no pointers to this structure. Careful when using pointers to pointers! Also developers do mistakes here. */
- ts_double *bond_length;
- ts_double *bond_length_dual;
+ struct ts_vertex **neigh; /**< The pointer that holds neigh_no pointers to this structure. */
+ ts_double *bond_length; /**< Obsolete! The bond lenght is moved to ts_bond */
+ ts_double *bond_length_dual; /**< Obsolete! Bond length in dual lattice is moved to ts_bond! */
ts_double curvature;
ts_double energy;
ts_double energy_h;
ts_uint tristar_no;
- struct ts_triangle **tristar;
- struct ts_bond **bond;
- struct ts_cell *cell;
+ struct ts_triangle **tristar; /**< The list of triangles this vertex belongs to. This is an array of pointers to ts_triangle structure of tristar_no length */
+ ts_uint bond_no;
+ struct ts_bond **bond; /**< Array of pointers of lenght bond_no that stores information on bonds. */
+ struct ts_cell *cell; /**< Which cell do we belong to? */
ts_double xk;
ts_double c;
ts_uint id;
@@ -143,20 +144,33 @@
typedef struct {
ts_uint n;
- ts_vertex *vtx;
+ ts_vertex **vtx;
} ts_vertex_list;
-/** ts_bond is a structure that describes a bond */
+/** ts_bond_data is a structure that describes a bond */
typedef struct {
ts_vertex *vtx1;
ts_vertex *vtx2;
ts_double bond_length;
ts_double bond_length_dual;
-} ts_bond;
+} ts_bond_data;
-struct ts_triangle {
+struct ts_bond {
+ ts_uint idx;
+ ts_bond_data *data;
+};
+typedef struct ts_bond ts_bond;
+
+struct ts_bond_list {
+ ts_uint n;
+ ts_bond **bond;
+};
+typedef struct ts_bond_list ts_bond_list;
+
+/** ts_triangle_data is a structure that describes a triangle */
+struct ts_triangle_data {
ts_uint idx;
ts_vertex *vertex[3];
ts_uint neigh_no;
@@ -166,7 +180,19 @@
ts_double znorm;
};
+typedef struct ts_triangle_data ts_triangle_data;
+
+struct ts_triangle {
+ ts_uint idx;
+ ts_triangle_data *data;
+};
typedef struct ts_triangle ts_triangle;
+
+struct ts_triangle_list{
+ ts_uint n;
+ ts_triangle **tria;
+};
+
typedef struct ts_cell {
ts_uint idx;
@@ -175,15 +201,11 @@
} ts_cell;
typedef struct {
- ts_vertex **vlist;
- ts_bond **blist;
- ts_triangle **tlist;
- ts_cell **clist;
+ ts_vertex *vlist;
+ ts_bond *blist;
+ ts_triangle *tlist;
+ ts_cell *clist;
ts_uint nshell;
- ts_uint nvertex;
- ts_uint nbond;
- ts_uint ntria;
- ts_cell ncell;
ts_double dcell;
ts_double shift;
ts_double max_occupancy;
diff --git a/src/main.c b/src/main.c
index d6c2854..41475a9 100644
--- a/src/main.c
+++ b/src/main.c
@@ -2,6 +2,7 @@
#include<math.h>
#include "general.h"
#include "vertex.h"
+#include "bond.h"
//#include "io.h"
//#include "initial_timestep.h"
@@ -14,13 +15,20 @@
int main(int argv, char *argc[]){
ts_bool retval;
ts_vertex_list *vlist=init_vertex_list(5);
+ts_bond_list *blist=init_bond_list();
-
-retval=vtx_add_neighbour(VTX(1),VTX(0));
+retval=vtx_add_cneighbour(blist,vlist->vtx[1],vlist->vtx[0]);
if(retval==TS_FAIL) printf("1. already a member or vertex is null!\n");
-retval=vtx_add_neighbour(VTX(0),VTX(1));
+
+retval=vtx_add_cneighbour(blist,vlist->vtx[0],vlist->vtx[1]);
if(retval==TS_FAIL) printf("2. already a member or vertex is null!\n");
-VTX_DATA(1)->x=1.0;
+
+vlist->vtx[0]->data->x=1.0;
+vlist->vtx[0]->data->x=1.1;
+
+bond_add(blist, vlist->vtx[1],vlist->vtx[0]);
+
+bond_list_free(blist);
vtx_list_free(vlist);
printf("Done.\n");
return 0; //program finished perfectly ok. We return 0.
diff --git a/src/vertex.c b/src/vertex.c
index b83f609..52a8f93 100644
--- a/src/vertex.c
+++ b/src/vertex.c
@@ -3,11 +3,13 @@
#include<string.h>
#include "general.h"
#include "vertex.h"
+#include "bond.h"
#include<stdio.h>
ts_vertex_list *init_vertex_list(ts_uint N){
ts_int i;
- ts_vertex_list *vlist=(ts_vertex_list *)malloc(sizeof(ts_vertex_list *));
+ ts_vertex *tlist;
+ ts_vertex_list *vlist=(ts_vertex_list *)malloc(sizeof(ts_vertex_list));
if(N==0){
err("Initialized vertex list with zero elements. Pointer set to NULL");
@@ -16,17 +18,22 @@
return vlist;
}
- vlist->vtx=(ts_vertex *)malloc(N*sizeof(ts_vertex));
- if(vlist->vtx==NULL)
+ vlist->vtx=(ts_vertex **)malloc(N*sizeof(ts_vertex *));
+ tlist=(ts_vertex *)malloc(N*sizeof(ts_vertex));
+ if(vlist->vtx==NULL || tlist==NULL)
fatal("Fatal error reserving memory space for vertex list! Could number of requsted vertices be too large?", 100);
- for(i=0;i<N;i++) vlist->vtx[i].data=init_vertex_data();
+ for(i=0;i<N;i++) {
+ vlist->vtx[i]=&tlist[i];
+ vlist->vtx[i]->data=init_vertex_data();
+ vlist->vtx[i]->idx=i;
+ }
vlist->n=N;
return vlist;
}
ts_vertex_data *init_vertex_data(){
ts_vertex_data *data;
- data=(ts_vertex_data *)malloc(sizeof(ts_vertex_data));
+ data=(ts_vertex_data *)calloc(1,sizeof(ts_vertex_data));
if(data==NULL)
fatal("Fatal error reserving memory space for ts_vertex! Memory full?", 100);
return data;
@@ -54,24 +61,46 @@
for(i=0; i<vtx->data->neigh_no;i++){
if(vtx->data->neigh[i]==nvtx) return TS_FAIL;
}
- ts_uint nn=vtx->data->neigh_no++;
+ ts_uint nn=++vtx->data->neigh_no;
vtx->data->neigh=(ts_vertex **)realloc(vtx->data->neigh, nn*sizeof(ts_vertex *));
- vtx->data->neigh[nn]=nvtx;
+ vtx->data->neigh[nn-1]=nvtx;
/* pa se sosedu dodamo vertex */
/*if it is already a neighbour don't add it to the list */
for(i=0; i<nvtx->data->neigh_no;i++){
if(nvtx->data->neigh[i]==vtx) return TS_FAIL;
}
- nn=nvtx->data->neigh_no++;
+ nn=++nvtx->data->neigh_no;
nvtx->data->neigh=(ts_vertex **)realloc(nvtx->data->neigh, nn*sizeof(ts_vertex *));
- nvtx->data->neigh[nn]=vtx;
+ nvtx->data->neigh[nn-1]=vtx;
-
-/* Ustvari bond in doloci dolzino */
return TS_SUCCESS;
}
+
+ts_bool vtx_add_bond(ts_bond_list *blist,ts_vertex *vtx1,ts_vertex *vtx2){
+ ts_bond *bond;
+ bond=bond_add(blist,vtx1,vtx2);
+ if(bond==NULL) return TS_FAIL;
+ vtx1->data->bond_no++;
+ vtx2->data->bond_no++;
+
+ vtx1->data->bond=(ts_bond **)realloc(vtx1->data->bond, vtx1->data->bond_no*sizeof(ts_bond *));
+ vtx2->data->bond=(ts_bond **)realloc(vtx2->data->bond, vtx2->data->bond_no*sizeof(ts_bond *));
+ vtx1->data->bond[vtx1->data->bond_no-1]=bond;
+ vtx2->data->bond[vtx2->data->bond_no-1]=bond;
+ return TS_SUCCESS;
+}
+
+ts_bool vtx_add_cneighbour(ts_bond_list *blist, ts_vertex *vtx1, ts_vertex *vtx2){
+ ts_bool retval;
+ retval=vtx_add_neighbour(vtx1,vtx2);
+ if(retval==TS_SUCCESS)
+ retval=vtx_add_bond(blist,vtx1,vtx2);
+ return retval;
+}
+
+
ts_bool vtx_data_free(ts_vertex_data *data){
@@ -83,6 +112,7 @@
return TS_SUCCESS;
}
+/*not usable. can be deleted */
ts_bool vtx_free(ts_vertex *vtx){
vtx_data_free(vtx->data);
free(vtx);
@@ -92,8 +122,9 @@
ts_bool vtx_list_free(ts_vertex_list *vlist){
int i;
for(i=0;i<vlist->n;i++){
- vtx_data_free(vlist->vtx[i].data);
+ vtx_data_free(vlist->vtx[i]->data);
}
+ free(*(vlist->vtx));
free(vlist->vtx);
free(vlist);
return TS_SUCCESS;
diff --git a/src/vertex.h b/src/vertex.h
index bceeb1c..1db3f1f 100644
--- a/src/vertex.h
+++ b/src/vertex.h
@@ -16,6 +16,8 @@
ts_vertex_list *init_vertex_list(ts_uint N);
ts_vertex_data *init_vertex_data(void);
ts_bool vtx_add_neighbour(ts_vertex *vtx, ts_vertex *nvtx);
+ts_bool vtx_add_cneighbour(ts_bond_list *blist,ts_vertex *vtx1,ts_vertex *vtx2);
+ts_bool vtx_add_bond(ts_bond_list *blist,ts_vertex *vtx1,ts_vertex *vtx2);
ts_bool vtx_data_free(ts_vertex_data *data);
ts_bool vtx_free(ts_vertex *vtx);
ts_bool vtx_list_free(ts_vertex_list *vlist);
--
Gitblit v1.9.3