From a00f10fd48a1de31c3ac923c2106969f84e831e0 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Mon, 09 Mar 2015 11:09:31 +0000
Subject: [PATCH] Documented energy.c
---
src/bond.c | 14 +++++++++++++-
1 files changed, 13 insertions(+), 1 deletions(-)
diff --git a/src/bond.c b/src/bond.c
index 9d82ea2..ce255ca 100644
--- a/src/bond.c
+++ b/src/bond.c
@@ -28,12 +28,24 @@
//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++){
--
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