From 87b2b8d9bc43036bde80faab60815cfc51c54d05 Mon Sep 17 00:00:00 2001
From: skarozis <skarozis@ipta.demokritos.gr>
Date: Wed, 4 Nov 2020 14:21:39 +0200
Subject: [PATCH] add to order and rdf function to replace none with 0 value

---
 CHANGELOG | 2 +-
 main.py   | 5 +++++
 2 files changed, 6 insertions(+), 1 deletion(-)

diff --git a/CHANGELOG b/CHANGELOG
index 890fda3..09b0f2c 100644
--- a/CHANGELOG
+++ b/CHANGELOG
@@ -11,7 +11,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 - add OrderedDict() function to keep input ordered independent to Python version 
 
 ### Changed
-- None
+- Add check of length to order and rdf function to replace none with 0 value
 
 ### Removed
 - None
diff --git a/main.py b/main.py
index ce608f3..6e88e04 100644
--- a/main.py
+++ b/main.py
@@ -301,6 +301,9 @@ for i in GROUPS.keys():
                                 cnt2=cnt2+1
                                 peaks = tbgmx.rdf_peaks(TRR=TRAJ,TPR=TPR,IND=fl,ST=time_index[ST_FR],EN=-1,fld='./'+uniq_id[iidd]['system'],arg1=cnt1,arg2=cnt2,dist_pk=20)
                             rdf_nm=mol1+'-'+mol2+'_rdf_'+uniq_id[iidd]['fld']
+                            if len(peaks)==0:
+                                peaks.append(0)
+                           
                             rdf_dict[iidd][rdf_nm]=peaks
                         sv_data=rdf_dict
                         mrg_data[i][j]=[rdf_dict,[]]
@@ -326,6 +329,8 @@ for i in GROUPS.keys():
                                     yy=tmp
                                 tmp=yy
                         order_nm=mol+'_order_'+uniq_id[iidd]['fld']
+                        if len(yy)==0:
+                            yy.append(0)
                         order_dict[iidd][order_nm]=yy
                         sv_data=order_dict
                         mrg_data[i][j]=[order_dict,[]]
-- 
2.24.1