Use OrderedDict() when creating input

to keep order of input independent of the Python version

.gitignore

 .gitignore
-FORTRAN_vscode/
 __pycache__/
 .venv/
 .vscode/
@@ -12,4 +11,4 @@ __pycache__/
 *.code-workspace
 *.itp
 system/
-20190322_10
\ No newline at end of file
+Case4_20190909_5
\ No newline at end of file

main.py

 import os
+from collections import OrderedDict
 import pandas as pd
 import tooba_f as tbf
 import tooba_gmx as tbgmx
@@ -8,7 +9,7 @@ import tooba_gmx as tbgmx
 #           in case of tail is the one closest to the head, hence
 #           the code is a good approximation 
 ###################################################
-SYSTEM_NAME='20190322_10'
+SYSTEM_NAME='Case4_20190909_5'
 DISCET=[3.5, 3.5, 3.5]
 NUM_FR=750
 TRAJ=SYSTEM_NAME+'/eq_traj.trr'
@@ -39,6 +40,7 @@ TPR=SYSTEM_NAME+'/eq_run.tpr'
 #                       [save, [TYPE], SAVE_NAME]:  Save result of previous function, type: pkl, json
 #
 ###################################################
+GROUPS=OrderedDict()
 GROUPS={'ALL':['index+ALL_ndx',['save', ['pkl'],'index'],'density',['save', ['pkl'],'dens']],
         'HD_GROUP':['surf',['save', ['pkl', 'json'],'surf'],'index+HD_ndx',['save', ['pkl'],'index'],'rdf',['save', ['pkl'],'rdf']],
         'TL_GROUP':['vector',['save', ['pkl'],'vec']],
@@ -48,12 +50,19 @@ GROUPS={'ALL':['index+ALL_ndx',['save', ['pkl'],'index'],'density',['save', ['pk
         'ORDER_CHOL':['index_order+ORDER_CHOL_ndx',['save', ['pkl'],'index'],'order',['save',['pkl'], 'order']],
         'COMBINE':[['HD_GROUP','surf'],['TL_GROUP','vector'],['COMB','tilt'],['save', ['pkl'],'tilt']]
 }
+ALL=OrderedDict()
 ALL={'NS':['C1', 'C2', 'C3', 'C4', 'C5','C6', 'Na', 'P4', 'P3', 'C7','C3', 'C4', 'C5', 'C8', 'C9', 'C10'], 'CHOL':['ROH','R1', 'R2', 'R3', 'R4', 'R5'], 'FFA':['AC','C1', 'C2', 'C3', 'C4']}
+HD_GROUP=OrderedDict()
 HD_GROUP={'NS':['C6', 'Na', 'P4', 'P3', 'C7'], 'CHOL':['ROH'], 'FFA':['AC']}
+TL_GROUP=OrderedDict()
 TL_GROUP={'NS':['C3', 'C4', 'C5', 'C8', 'C9', 'C10'], 'CHOL':['R1', 'R2', 'R3', 'R4', 'R5'], 'FFA':['C1', 'C2', 'C3', 'C4']}
+ORDER_NS_SPH=OrderedDict()
 ORDER_NS_SPH={'NS':['C1', 'C2', 'C3', 'C4', 'C5']} #propable problem with the same atomname of NS, FFA
+ORDER_NS_ACYL=OrderedDict()
 ORDER_NS_ACYL={'NS':['C8', 'C9', 'C10']}
+ORDER_FFA=OrderedDict()
 ORDER_FFA={'FFA':['C1', 'C2', 'C3', 'C4']}
+ORDER_CHOL=OrderedDict()
 ORDER_CHOL={'CHOL':['R2', 'R3', 'R4', 'R5']}
 ###################################################
 ###################################################

requirements.txt

 numpy 
 scipy
-mpl_toolkits
+#mpl_toolkits
 matplotlib
 pytrr
 pandas
-pickle
-json
+#pickle
+#json
 progress.bar
-subprocess
-hashlib
\ No newline at end of file
+#subprocess
+#hashlib
\ No newline at end of file