From bd826de2f539f2e48c8c01d2d7f9f34c7e97104a Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Fri, 13 May 2016 07:43:27 +0000
Subject: [PATCH] Fix in trisurf output, inhibiting print of successful reconstruction. Multiple fixes and improvements in python module. Added symlinking of tapes into the running directories and dumping tapes from snapshots into tape files.
---
src/bond.c | 54 ++++++++++++++++++++++++++++++++++++++++++++----------
1 files changed, 44 insertions(+), 10 deletions(-)
diff --git a/src/bond.c b/src/bond.c
index 492ad24..21b7b56 100644
--- a/src/bond.c
+++ b/src/bond.c
@@ -1,24 +1,58 @@
+/* vim: set ts=4 sts=4 sw=4 noet : */
#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){
+ ts_uint i;
+ /* no vertices must be null! */
+ if(vtx1==NULL || vtx2==NULL) return NULL;
+ /* Verify if the bond already exists... Don't do multiple bonds */
+ for(i=0;i<blist->n;i++){
+ if((blist->bond[i]->vtx1==vtx1 || blist->bond[i]->vtx1==vtx2)
+ &&(blist->bond[i]->vtx2==vtx1 || blist->bond[i]->vtx2==vtx2))
+ return blist->bond[i];
+ }
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);
+
+ //NOW insert vertices into data!
+ blist->bond[blist->n - 1]->vtx1=vtx1;
+ blist->bond[blist->n - 1]->vtx2=vtx2;
+ blist->bond[blist->n - 1]->tainted=0;
+ blist->bond[blist->n - 1]->idx=blist->n-1;
+ //Should we calculate bond length NOW?
+
+ return blist->bond[blist->n-1];
}
+
+
+ts_bool bond_vector(ts_bond *bond){
+
+ bond->x = bond->vtx1->x - bond->vtx2->x;
+ bond->y = bond->vtx1->y - bond->vtx2->y;
+ bond->z = bond->vtx1->z - bond->vtx2->z;
+
+ return TS_SUCCESS;
+}
+
ts_bool bond_list_free(ts_bond_list *blist){
+ ts_uint i;
+ for(i=0;i<blist->n;i++){
+ free(blist->bond[i]);
+ }
free(blist->bond);
+ free(blist);
return TS_SUCCESS;
}
--
Gitblit v1.9.3