From 97f4b6d802dc13e511f30adbaa25a7892289b0ff Mon Sep 17 00:00:00 2001
From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Thu, 4 Oct 2007 14:25:31 +0200
Subject: [PATCH] added del_atom function

---
 moldyn.c | 29 +++++++++++++++++++++++++++++
 moldyn.h |  1 +
 2 files changed, 30 insertions(+)

diff --git a/moldyn.c b/moldyn.c
index 415581c..41e022a 100644
--- a/moldyn.c
+++ b/moldyn.c
@@ -558,6 +558,35 @@ int add_atom(t_moldyn *moldyn,int element,double mass,u8 brand,u8 attr,
 	return 0;
 }
 
+int del_atom(t_moldyn *moldyn,int tag) {
+
+	t_atom *new,*old;
+	int cnt;
+
+	old=moldyn->atom;
+
+	new=(t_atom *)malloc((moldyn->count-1)*sizeof(t_atom));
+	if(!new) {
+		perror("[moldyn]malloc (del atom)");
+		return -1;
+	}
+
+	for(cnt=0;cnt<tag;cnt++)
+		new[cnt]=old[cnt];
+	
+	for(cnt=tag+1;cnt<moldyn->count;cnt++) {
+		new[cnt-1]=old[cnt];
+		new[cnt-1].tag=cnt-1;
+	}
+
+	moldyn->count-=1;
+	moldyn->atom=new;
+
+	free(old);
+
+	return 0;
+}
+
 /* cubic init */
 int cubic_init(int a,int b,int c,double lc,t_atom *atom,t_3dvec *origin) {
 
diff --git a/moldyn.h b/moldyn.h
index 36e701e..0078990 100644
--- a/moldyn.h
+++ b/moldyn.h
@@ -417,6 +417,7 @@ int create_lattice(t_moldyn *moldyn,u8 type,double lc,int element,double mass,
                    u8 attr,u8 brand,int a,int b,int c,t_3dvec *origin);
 int add_atom(t_moldyn *moldyn,int element,double mass,u8 brand,u8 attr,
              t_3dvec *r,t_3dvec *v);
+int del_atom(t_moldyn *moldyn,int tag);
 int cubic_init(int a,int b,int c,double lc,t_atom *atom,t_3dvec *origin);
 int fcc_init(int a,int b,int c,double lc,t_atom *atom,t_3dvec *origin);
 int diamond_init(int a,int b,int c,double lc,t_atom *atom,t_3dvec *origin);
-- 
2.20.1