Update code to use networkx objects (incomplete)

ReferenceResourcesSystem/GLUCOSE_VisualizingRES.py

@@ -5,109 +5,119 @@
 This is a temporary script file.
 """
 #%%
+
 import networkx as nx
 from networkx.utils import open_file
 
-import pandas as pd
-
-
-RES = nx.read_graphml('glucoseRES_modified,noDUMMY,v2_202009.graphml')
-#%%
-edg = pd.DataFrame(RES.edges(data=True))
-nds = pd.DataFrame(RES.nodes(data=True))
-
-# info_edg = edg[2][144]
-# info_nds = nds[1][119]
-
-#%%
-input_edg=pd.DataFrame(columns=edg.columns)
-output_edg=pd.DataFrame(columns=edg.columns)
-emission_edg=pd.DataFrame(columns=edg.columns)
-
-i=0
-for i in edg.index:
-    info_edge=edg[2][i]
-    if 'input_ratio' in info_edge:
-        input_edg=input_edg.append(edg.iloc[[i]], ignore_index=True)
-    if 'output_ratio' in info_edge:
-        output_edg=output_edg.append(edg.iloc[[i]], ignore_index=True)    
-    if 'emission_ratio' in info_edge:
-        emission_edg=emission_edg.append(edg.iloc[[i]], ignore_index=True)
-    i=i+1
-
-
-k=0    
-for k in input_edg.index:
-    fuel1=input_edg[2][k]['label']
-    a= input_edg[0][k]
-    node=nds.loc[nds[0]==a]  
-    node = node.reset_index(drop=True)
-    x1=0
-    for x1 in node.index:
-        b=node[1][node.index[x1]]
-        b['label']=fuel1
-        x1=x1+1
-    k=k+1
-
-z=0    
-for z in output_edg.index:
-    c = output_edg[1][z]
-    d = nds.loc[nds[0]==c]
-    fuel2 = d[1][d.index[0]]['label']
-    edge = output_edg.loc[output_edg[1]==c]
-    edge = edge.reset_index(drop=True)
-    x2=0
-    for x2 in edge.index:
-        e=edge[2][edge.index[x2]]
-        e['label']=fuel2
-        x2=x2+1
-    edge2 = edg.loc[edg[1]==c] 
-    edge2 = edge2.reset_index(drop=True)
-    x3=0
-    for x3 in edge2.index:
-        f=edge2[2][edge2.index[x3]]
-        f['label']=fuel2
-        x3=x3+1
-    z=z+1
-
-y=0    
-for y in emission_edg.index:
-    g = emission_edg[1][y]
-    h = nds.loc[nds[0]==g]
-    emission = h[1][h.index[0]]['label']
-    edge3 = emission_edg.loc[emission_edg[1]==g]
-    edge3 = edge3.reset_index(drop=True)
-    x4=0
-    for x4 in edge3.index:
-        m=edge3[2][edge3.index[x4]]
-        m['label']=emission
-        x4=x4+1
-    edge4 = edg.loc[edg[1]==g]
-    edge4 = edge4.reset_index(drop=True)
-    x5=0
-    for x5 in edge4.index:
-        n=edge4[2][edge4.index[x5]]
-        n['label']=emission
-        x5=x5+1
-    y=y+1
-
-
-nds.to_dict()
-edg.to_dict()
-
-#%%
-RES = nx.DiGraph()
-#RES.add_edges_from(edg)
-
-for i in edg:
-    RES.add_edge(edg[0][i], edg[1][i])
-for j in nds:
-    RES.add_node(nds[0][j])
-
-#%%
-#RES.add_nodes_from(edg)
-#RES.add_nodes_from(nds)
-#RESdata = nx.path_grap()
-nx.write_graphml(RES, 'glucoseRES_modified,noDUMMY,v4_202010.graphml')
+#import pyyed
+
+#import pandas as pd
+import sys
+
+def main(filepath):
+
+    RES = nx.read_graphml(filepath)
+
+    edges = RES.edges(data=True)
+    nodes = RES.nodes(data=True)
+
+    input_edges = []
+    output_edges = []
+    emission_edges = []
+
+    # Extract edges with input, output and emission ratios
+    for edge in edges:
+        info_edge = edge[2]
+        if 'input_ratio' in info_edge:
+            input_edges.append(edge)
+        if 'output_ratio' in info_edge:
+            output_edges.append(edge)    
+        if 'emission_ratio' in info_edge:
+            emission_edges.append(edge)
+
+    # Update the labels of nodes 
+    for edge in input_edges:
+        fuel_in = edge[2]['label']
+        from_node = edge[0]
+        RES.nodes[from_node]['label'] = fuel_in
+
+    for edge in output_edges:
+        from_node = edge[0]
+        to_node = edge[1]
+        fuel_out = RES.nodes[to_node]['label']
+        RES.edges[from_node,to_node]['label'] = fuel_out
+
+    for edge in emission_edges:
+        from_node = edge[0]
+        to_node = edge[1]
+        emission = RES.nodes[to_node]['label']
+        RES.edges[from_node,to_node]['label'] = emission
+
+
+    # k=0    
+    # for k in input_edg.index:
+    #     fuel1 = input_edg[2]['label']
+    #     a= input_edg[0][k]
+    #     node=nds.loc[nds[0]==a]  
+    #     node = node.reset_index(drop=True)
+    #     x1=0
+    #     for x1 in node.index:
+    #         b=node[1][node.index[x1]]
+    #         b['label']=fuel1
+    #         x1=x1+1
+    #     k=k+1
+
+    # z=0    
+    # for z in output_edg.index:
+    #     c = output_edg[1][z]
+    #     d = nds.loc[nds[0]==c]
+    #     fuel2 = d[1][d.index[0]]['label']
+    #     edge = output_edg.loc[output_edg[1]==c]
+    #     edge = edge.reset_index(drop=True)
+    #     x2=0
+    #     for x2 in edge.index:
+    #         e=edge[2][edge.index[x2]]
+    #         e['label']=fuel2
+    #         x2=x2+1
+    #     edge2 = edg.loc[edg[1]==c] 
+    #     edge2 = edge2.reset_index(drop=True)
+    #     x3=0
+    #     for x3 in edge2.index:
+    #         f=edge2[2][edge2.index[x3]]
+    #         f['label']=fuel2
+    #         x3=x3+1
+    #     z=z+1
+
+    # y=0    
+    # for y in emission_edg.index:
+    #     g = emission_edg[1][y]
+    #     h = nds.loc[nds[0]==g]
+    #     emission = h[1][h.index[0]]['label']
+    #     edge3 = emission_edg.loc[emission_edg[1]==g]
+    #     edge3 = edge3.reset_index(drop=True)
+    #     x4=0
+    #     for x4 in edge3.index:
+    #         m=edge3[2][edge3.index[x4]]
+    #         m['label']=emission
+    #         x4=x4+1
+    #     edge4 = edg.loc[edg[1]==g]
+    #     edge4 = edge4.reset_index(drop=True)
+    #     x5=0
+    #     for x5 in edge4.index:
+    #         n=edge4[2][edge4.index[x5]]
+    #         n['label']=emission
+    #         x5=x5+1
+    #     y=y+1
+
+
+    # nds.to_dict()
+    # edg.to_dict()
+
+
+    # Write out the graph to a new file
+    nx.write_graphml(RES, 'glucoseRES_modified,noDUMMY,v4_202010.graphml')
 
 # %%
+if __name__ == "__main__":
+    main(sys.argv[1])
+