From 2a1e3d528265c3d366dab9ad4b0c4d3d65e1c4ed Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Mon, 13 Apr 2020 12:13:50 +0000 Subject: [PATCH] Storing previously debugged version --- src/bond.c | 27 +++++++++++++++++++-------- 1 files changed, 19 insertions(+), 8 deletions(-) diff --git a/src/bond.c b/src/bond.c index 1478720..da963b5 100644 --- a/src/bond.c +++ b/src/bond.c @@ -1,3 +1,4 @@ +/* vim: set ts=4 sts=4 sw=4 noet : */ #include<stdlib.h> #include "general.h" #include "vertex.h" @@ -15,30 +16,40 @@ 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]->data->vtx1==vtx1 || blist->bond[i]->data->vtx1==vtx2) - &&(blist->bond[i]->data->vtx2==vtx1 || blist->bond[i]->data->vtx2==vtx2)) + 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=(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)); + blist->bond[blist->n-1]=(ts_bond *)calloc(1,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; - + 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]->data); free(blist->bond[i]); } free(blist->bond); -- Gitblit v1.9.3