Debugging read_gro

main.py

@@ -6,4 +6,4 @@ import tooba_f as tbf
 
 
 #tbf.last_fr_export(trajfile='traj.trr')
-tbf.read_gro_types('initial.gro')
+tbf.read_gro('initial.gro')
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tooba_f.py

@@ -98,24 +98,29 @@ def fr_export(trajfile='traj.trr', num_frames=1):
         print(data['box'])
         print(data['x'][0])
 
-def read_gro_types(gro):
+def read_gro(gro):
     cnt=0
     data_num=0
+    res_num = [] 
+    res_type = []  
+    atom_type = [] 
+    atom_num  = []
+    rest_dt = []
     with open(gro, 'r') as F:
         for line in F:
             cnt=cnt+1
             print(cnt)
             if cnt>2:
-                res_num = line[:5]  
-                res_type = line[5:10]  
-                atom_type = line[10:15] 
-                atom_num  = line[15:20]
-                rest_dt = line[20:]
-                print(res_num,res_type,atom_type,atom_num,rest_dt)
+                res_num.append(line[:5])  
+                res_type.append(line[5:10])  
+                atom_type.append(line[10:15]) 
+                atom_num.append(line[15:20])
+                rest_dt.append(line[20:])
             elif cnt==1:
                 system=line[:10]
             elif cnt==2:
                 data_num=int(line[:7])
             if cnt>data_num:
                 box_size=line[:50]
-        print(system,data_num,box_size)
+        #print(system,data_num,box_size)
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+        return system,data_num,box_size,res_num,res_type,atom_type,atom_num,rest_dt
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