From 0829af5eb66d729729130beff7fb55b107b05353 Mon Sep 17 00:00:00 2001
From: jkiederle <jana.kiederle@fau.de>
Date: Wed, 20 Apr 2022 18:15:56 +0200
Subject: [PATCH] add full version of eps and eps main file

---
 ...asetGeneOntologyInformationCollection.xlsx | Bin 0 -> 27779 bytes
 .../RNA_trees/RNA_trees_bracket/._PKB10       | Bin 0 -> 245 bytes
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 .../RNA_trees_gml}/PKB128/1.txt               |   0
 .../RNA_trees_gml}/PKB13/1.txt                |   0
 .../RNA_trees_gml}/PKB130/1.txt               |   0
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 .../RNA_trees_gml}/PKB135/1.txt               |   0
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 .../RNA_trees_gml}/PKB14/1.txt                |   0
 .../RNA_trees_gml}/PKB140/1.txt               |   0
 .../RNA_trees_gml}/PKB140/2.txt               |   0
 .../RNA_trees_gml}/PKB140/3.txt               |   0
 .../RNA_trees_gml}/PKB140/4.txt               |   0
 .../RNA_trees_gml}/PKB142/1.txt               |   0
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 .../RNA_trees_gml}/PKB142/3.txt               |   0
 .../RNA_trees_gml}/PKB142/4.txt               |   0
 .../RNA_trees_gml}/PKB15/1.txt                |   0
 .../RNA_trees_gml}/PKB158/1.txt               |   0
 .../RNA_trees_gml}/PKB159/1.txt               |   0
 .../RNA_trees_gml}/PKB16/1.txt                |   0
 .../RNA_trees_gml}/PKB160/1.txt               |   0
 .../RNA_trees_gml}/PKB160/2.txt               |   0
 .../RNA_trees_gml}/PKB161/1.txt               |   0
 .../RNA_trees_gml}/PKB162/1.txt               |   0
 .../RNA_trees_gml}/PKB171/1.txt               |   0
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 .../RNA_trees_gml}/PKB177/1.txt               |   0
 .../RNA_trees_gml}/PKB177/2.txt               |   0
 .../RNA_trees_gml}/PKB179/1.txt               |   0
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 .../RNA_trees_gml}/PKB191/1.txt               |   0
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 .../RNA_trees_gml}/PKB20/1.txt                |   0
 .../RNA_trees_gml}/PKB20/2.txt                |   0
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 .../RNA_trees_gml}/PKB24/1.txt                |   0
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 .../RNA_trees_gml}/PKB32/1.txt                |   0
 .../RNA_trees_gml}/PKB38/1.txt                |   0
 .../RNA_trees_gml}/PKB38/2.txt                |   0
 .../RNA_trees_gml}/PKB4/1.txt                 |   0
 .../RNA_trees_gml}/PKB42/1.txt                |   0
 .../RNA_trees_gml}/PKB42/2.txt                |   0
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 .../RNA_trees_gml}/PKB44/1.txt                |   0
 .../RNA_trees_gml}/PKB44/2.txt                |   0
 .../RNA_trees_gml}/PKB46/1.txt                |   0
 .../RNA_trees_gml}/PKB46/2.txt                |   0
 .../RNA_trees_gml}/PKB48/1.txt                |   0
 .../RNA_trees_gml}/PKB49/1.txt                |   0
 .../RNA_trees_gml}/PKB50/1.txt                |   0
 .../RNA_trees_gml}/PKB51/1.txt                |   0
 .../RNA_trees_gml}/PKB52/1.txt                |   0
 .../RNA_trees_gml}/PKB6/1.txt                 |   0
 .../RNA_trees_gml}/PKB67/1.txt                |   0
 .../RNA_trees_gml}/PKB68/1.txt                |   0
 .../RNA_trees_gml}/PKB69/1.txt                |   0
 .../RNA_trees_gml}/PKB7/1.txt                 |   0
 .../RNA_trees_gml}/PKB7/2.txt                 |   0
 .../RNA_trees_gml}/PKB70/1.txt                |   0
 .../RNA_trees_gml}/PKB77/1.txt                |   0
 .../RNA_trees_gml}/PKB77/2.txt                |   0
 .../RNA_trees_gml}/PKB79/1.txt                |   0
 .../RNA_trees_gml}/PKB8/1.txt                 |   0
 .../RNA_trees_gml}/PKB89/1.txt                |   0
 .../RNA_trees_gml}/PKB89/2.txt                |   0
 .../RNA_trees_gml}/PKB9/1.txt                 |   0
 .../RNA_trees_gml}/PKB90/1.txt                |   0
 .../RNA_trees_gml}/PKB91/1.txt                |   0
 .../RNA_trees_gml}/PKB91/2.txt                |   0
 .../RNA_trees_gml}/PKB98/1.txt                |   0
 all_other_data/df_duos_approx_entire.csv      |  73 ----
 all_other_data/df_duos_gurobi_entire.csv      |  73 ----
 ... edge_preservation_sim_approx_results.csv} |   0
 ...> edge_preservation_sim_exact_results.csv} |   0
 all_other_data/fixed_df_matrix_approx.csv     |  11 -
 all_other_data/fixed_df_matrix_gurobi.csv     |  11 -
 all_other_data/gurobi_df_dist.csv             |  73 ----
 .../data/normalized_approx_dist.csv           |  73 ----
 ...rmalized_edge_preservation_sim_approx.csv} |   0
 ...ormalized_edge_preservation_sim_exact.csv} |   0
 .../data/normalized_gurobi_dist.csv           |  73 ----
 ...tanceResult.CSV => tree_edit_distance.csv} |   0
 ...imilarity.csv => tree_edit_similarity.csv} |   0
 ...malized_edge_preservation_sim_results.csv} |   0
 ...malized_edge_preservation_sim_results.csv} |   0
 ...alability_edge_preservation_sim_exact.png} | Bin
 ...y_edge_preservation_similarity_approx.png} | Bin
 .../comparison_matrices_eval.ipynb            |  84 ++++-
 .../edge_preservation_similarity.py           | 321 ++++++++++++++++++
 .../edge_preservation_similarity_main.py      | 295 ++++++++++++++++
 432 files changed, 809 insertions(+), 391 deletions(-)
 create mode 100755 all_other_data/PKBdatasetGeneOntologyInformationCollection.xlsx
 create mode 100755 all_other_data/RNA_trees/RNA_trees_bracket/._PKB10
 create mode 100755 all_other_data/RNA_trees/RNA_trees_bracket/._PKB100
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diff --git a/all_other_data/PKBdatasetGeneOntologyInformationCollection.xlsx b/all_other_data/PKBdatasetGeneOntologyInformationCollection.xlsx
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similarity index 100%
rename from all_other_data/gml_data/PKB52/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB52/1.txt
diff --git a/all_other_data/gml_data/PKB6/1.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB6/1.txt
similarity index 100%
rename from all_other_data/gml_data/PKB6/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB6/1.txt
diff --git a/all_other_data/gml_data/PKB67/1.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB67/1.txt
similarity index 100%
rename from all_other_data/gml_data/PKB67/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB67/1.txt
diff --git a/all_other_data/gml_data/PKB68/1.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB68/1.txt
similarity index 100%
rename from all_other_data/gml_data/PKB68/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB68/1.txt
diff --git a/all_other_data/gml_data/PKB69/1.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB69/1.txt
similarity index 100%
rename from all_other_data/gml_data/PKB69/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB69/1.txt
diff --git a/all_other_data/gml_data/PKB7/1.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB7/1.txt
similarity index 100%
rename from all_other_data/gml_data/PKB7/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB7/1.txt
diff --git a/all_other_data/gml_data/PKB7/2.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB7/2.txt
similarity index 100%
rename from all_other_data/gml_data/PKB7/2.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB7/2.txt
diff --git a/all_other_data/gml_data/PKB70/1.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB70/1.txt
similarity index 100%
rename from all_other_data/gml_data/PKB70/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB70/1.txt
diff --git a/all_other_data/gml_data/PKB77/1.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB77/1.txt
similarity index 100%
rename from all_other_data/gml_data/PKB77/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB77/1.txt
diff --git a/all_other_data/gml_data/PKB77/2.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB77/2.txt
similarity index 100%
rename from all_other_data/gml_data/PKB77/2.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB77/2.txt
diff --git a/all_other_data/gml_data/PKB79/1.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB79/1.txt
similarity index 100%
rename from all_other_data/gml_data/PKB79/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB79/1.txt
diff --git a/all_other_data/gml_data/PKB8/1.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB8/1.txt
similarity index 100%
rename from all_other_data/gml_data/PKB8/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB8/1.txt
diff --git a/all_other_data/gml_data/PKB89/1.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB89/1.txt
similarity index 100%
rename from all_other_data/gml_data/PKB89/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB89/1.txt
diff --git a/all_other_data/gml_data/PKB89/2.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB89/2.txt
similarity index 100%
rename from all_other_data/gml_data/PKB89/2.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB89/2.txt
diff --git a/all_other_data/gml_data/PKB9/1.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB9/1.txt
similarity index 100%
rename from all_other_data/gml_data/PKB9/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB9/1.txt
diff --git a/all_other_data/gml_data/PKB90/1.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB90/1.txt
similarity index 100%
rename from all_other_data/gml_data/PKB90/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB90/1.txt
diff --git a/all_other_data/gml_data/PKB91/1.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB91/1.txt
similarity index 100%
rename from all_other_data/gml_data/PKB91/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB91/1.txt
diff --git a/all_other_data/gml_data/PKB91/2.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB91/2.txt
similarity index 100%
rename from all_other_data/gml_data/PKB91/2.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB91/2.txt
diff --git a/all_other_data/gml_data/PKB98/1.txt b/all_other_data/RNA_trees/RNA_trees_gml/PKB98/1.txt
similarity index 100%
rename from all_other_data/gml_data/PKB98/1.txt
rename to all_other_data/RNA_trees/RNA_trees_gml/PKB98/1.txt
diff --git a/all_other_data/df_duos_approx_entire.csv b/all_other_data/df_duos_approx_entire.csv
deleted file mode 100644
index 8538b9b..0000000
--- a/all_other_data/df_duos_approx_entire.csv
+++ /dev/null
@@ -1,73 +0,0 @@
-,PKB69,PKB206,PKB51,PKB106,PKB48,PKB98,PKB14,PKB130,PKB233,PKB42,PKB6,PKB4,PKB179,PKB46,PKB161,PKB20,PKB105,PKB70,PKB24,PKB91,PKB68,PKB159,PKB7,PKB77,PKB10,PKB8,PKB240,PKB103,PKB89,PKB137,PKB52,PKB248,PKB49,PKB32,PKB241,PKB128,PKB22,PKB50,PKB140,PKB43,PKB67,PKB79,PKB247,PKB16,PKB180,PKB177,PKB172,PKB136,PKB207,PKB119,PKB218,PKB38,PKB104,PKB15,PKB11,PKB171,PKB162,PKB242,PKB120,PKB158,PKB101,PKB142,PKB102,PKB100,PKB44,PKB135,PKB191,PKB13,PKB9,PKB160,PKB90,PKB236
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diff --git a/all_other_data/df_duos_gurobi_entire.csv b/all_other_data/df_duos_gurobi_entire.csv
deleted file mode 100644
index aaf2d06..0000000
--- a/all_other_data/df_duos_gurobi_entire.csv
+++ /dev/null
@@ -1,73 +0,0 @@
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diff --git a/all_other_data/fixed_df_matrix_approx_entire.csv b/all_other_data/edge_preservation_sim_approx_results.csv
similarity index 100%
rename from all_other_data/fixed_df_matrix_approx_entire.csv
rename to all_other_data/edge_preservation_sim_approx_results.csv
diff --git a/all_other_data/fixed_df_matrix_gurobi_entire.csv b/all_other_data/edge_preservation_sim_exact_results.csv
similarity index 100%
rename from all_other_data/fixed_df_matrix_gurobi_entire.csv
rename to all_other_data/edge_preservation_sim_exact_results.csv
diff --git a/all_other_data/fixed_df_matrix_approx.csv b/all_other_data/fixed_df_matrix_approx.csv
deleted file mode 100644
index ca4171a..0000000
--- a/all_other_data/fixed_df_matrix_approx.csv
+++ /dev/null
@@ -1,11 +0,0 @@
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diff --git a/all_other_data/fixed_df_matrix_gurobi.csv b/all_other_data/fixed_df_matrix_gurobi.csv
deleted file mode 100644
index 3037567..0000000
--- a/all_other_data/fixed_df_matrix_gurobi.csv
+++ /dev/null
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diff --git a/all_other_data/gurobi_df_dist.csv b/all_other_data/gurobi_df_dist.csv
deleted file mode 100644
index 0a00a64..0000000
--- a/all_other_data/gurobi_df_dist.csv
+++ /dev/null
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diff --git a/final_results_data/data/normalized_approx_dist.csv b/final_results_data/data/normalized_approx_dist.csv
deleted file mode 100644
index e86d8aa..0000000
--- a/final_results_data/data/normalized_approx_dist.csv
+++ /dev/null
@@ -1,73 +0,0 @@
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diff --git a/final_results_data/data/normalized_approx.csv b/final_results_data/data/normalized_edge_preservation_sim_approx.csv
similarity index 100%
rename from final_results_data/data/normalized_approx.csv
rename to final_results_data/data/normalized_edge_preservation_sim_approx.csv
diff --git a/final_results_data/data/normalized_gurobi.csv b/final_results_data/data/normalized_edge_preservation_sim_exact.csv
similarity index 100%
rename from final_results_data/data/normalized_gurobi.csv
rename to final_results_data/data/normalized_edge_preservation_sim_exact.csv
diff --git a/final_results_data/data/normalized_gurobi_dist.csv b/final_results_data/data/normalized_gurobi_dist.csv
deleted file mode 100644
index a909141..0000000
--- a/final_results_data/data/normalized_gurobi_dist.csv
+++ /dev/null
@@ -1,73 +0,0 @@
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diff --git a/final_results_data/data/treeEditDistanceResult.CSV b/final_results_data/data/tree_edit_distance.csv
similarity index 100%
rename from final_results_data/data/treeEditDistanceResult.CSV
rename to final_results_data/data/tree_edit_distance.csv
diff --git a/final_results_data/data/df_tree_edit_similarity.csv b/final_results_data/data/tree_edit_similarity.csv
similarity index 100%
rename from final_results_data/data/df_tree_edit_similarity.csv
rename to final_results_data/data/tree_edit_similarity.csv
diff --git a/final_results_data/results/normalized_approx_gurobi_results.csv b/final_results_data/results/normalized_edge_preservation_sim_results.csv
similarity index 100%
rename from final_results_data/results/normalized_approx_gurobi_results.csv
rename to final_results_data/results/normalized_edge_preservation_sim_results.csv
diff --git a/final_results_data/results/not_normalized_approx_gurobi_results.csv b/final_results_data/results/not_normalized_edge_preservation_sim_results.csv
similarity index 100%
rename from final_results_data/results/not_normalized_approx_gurobi_results.csv
rename to final_results_data/results/not_normalized_edge_preservation_sim_results.csv
diff --git a/final_results_data/results/scalability_gurobi.png b/final_results_data/results/scalability_edge_preservation_sim_exact.png
similarity index 100%
rename from final_results_data/results/scalability_gurobi.png
rename to final_results_data/results/scalability_edge_preservation_sim_exact.png
diff --git a/final_results_data/results/scalability_approx.png b/final_results_data/results/scalability_edge_preservation_similarity_approx.png
similarity index 100%
rename from final_results_data/results/scalability_approx.png
rename to final_results_data/results/scalability_edge_preservation_similarity_approx.png
diff --git a/notebooks_python/comparison_matrices_eval.ipynb b/notebooks_python/comparison_matrices_eval.ipynb
index 6f03582..08c1e74 100644
--- a/notebooks_python/comparison_matrices_eval.ipynb
+++ b/notebooks_python/comparison_matrices_eval.ipynb
@@ -1975,17 +1975,93 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 54,
+   "execution_count": 3,
    "metadata": {},
    "outputs": [],
-   "source": []
+   "source": [
+    "def import_graph_coll(path):\n",
+    "    '''reads in gml data and returns a list of lists of graphs''' \n",
+    "    graph_coll=[]\n",
+    "    listdir=os.listdir(path)\n",
+    "    for dire in listdir:\n",
+    "        graph_coll.append([])\n",
+    "        graphdir=os.listdir(path+'/'+dire)\n",
+    "        for graph_file in graphdir:\n",
+    "            graph_coll[-1].append(nx.readwrite.gml.read_gml(path+'/'+dire+'/'+graph_file,label='id'))\n",
+    "    return graph_coll"
+   ]
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 5,
    "metadata": {},
    "outputs": [],
-   "source": []
+   "source": [
+    "path = \"/home/jana/Documents/BIONETs/Code/tree_match_approx_validator/all_other_data/RNA_trees/RNA_trees_gml\"\n",
+    "graph_coll = import_graph_coll(path)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "orders = []\n",
+    "for graph in graph_coll:\n",
+    "    for g in graph:\n",
+    "        o = g.order()\n",
+    "        orders.append(o)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 16,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "113"
+      ]
+     },
+     "execution_count": 16,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "len(orders)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 17,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "np_order = np.array(orders)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 20,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "52.0"
+      ]
+     },
+     "execution_count": 20,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "np.median(np_order)"
+   ]
   },
   {
    "cell_type": "code",
diff --git a/notebooks_python/edge_preservation_similarity.py b/notebooks_python/edge_preservation_similarity.py
new file mode 100644
index 0000000..8873617
--- /dev/null
+++ b/notebooks_python/edge_preservation_similarity.py
@@ -0,0 +1,321 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+"""
+Created on Wed Jul 14 18:20:28 2021, edited Apr 2022
+
+@authors: nboria, jkiederle
+"""
+
+import gurobipy as gu
+import os
+import networkx as nx
+import numpy as np
+
+
+
+def intersection(lst1, lst2):
+    lst3 = [value for value in lst1 if value in lst2]
+    return lst3
+
+class Evaluator:
+    '''an instance of this is needed to compute the final result of the edge preservation similarity'''
+
+    def __init__(self):
+        self._preserved_duos_G1=[]
+        self._preserved_duos_G2=[]
+        self._evaluation=0
+        return None
+        
+    
+    def evaluate_sol(self,G1,G2,sol):
+        '''use this to get the egde preservation similarity computed (either approx or exact)'''
+        self._preserved_duos_G1=[]
+        self._preserved_duos_G2=[]
+        self._evaluation=0
+        matched_G1=[m[0] for m in sol]
+        #print('matched_G1',matched_G1)
+        matched_G2=[m[1]-G1.order() for m in sol]
+        #print('matched_G2',matched_G2)
+        edges_G1=list(G1.edges)
+        edges_G2=list(G2.edges)
+        #print(edges_G1)
+        for i in range(len(matched_G1)):
+            for j in range(len(matched_G1)):
+                if (matched_G1[i],matched_G1[j]) in edges_G1:
+                    if (matched_G2[i],matched_G2[j]) in edges_G2:
+                        self._evaluation+=1
+                        self._preserved_duos_G1.append([matched_G1[i],matched_G1[j]])
+                        self._preserved_duos_G2.append([matched_G2[i],matched_G2[j]])                        
+        return self._evaluation
+        
+class Gurobi_solver:
+    '''an instance of this is needed to exactly compute the edge preservation similarity'''
+
+    def __init__(self,verbose=None):
+        self._name='EDGE-PRESERVATION-SIM-EXACT'
+        self._sol=None
+        self._verbose=verbose
+        if self._verbose is None:
+            self._verbose=False
+        self._preserved_duos_G1=[]
+    
+    def compute_duos(self,G1,G2,timelimit=0):
+        '''this function is called to construct the matching(preserved duos) between graphs G1 and G2
+            It always needs to be called before evaluating it with the Evaluator to get a result'''
+            
+        self._preserved_duos_G1=[]
+        self._sol=[]
+        m=gu.Model('distance')
+        m.setParam('OutputFlag', self._verbose)
+        if timelimit > 0:
+            m.setParam("TimeLimit", timelimit)
+        
+        #VARIABLES
+        x = {}
+        # xij = mapping node i to node j
+        for i in range(G1.order()):
+            for j in range(G2.order()):
+                x[i, j] = m.addVar(vtype=gu.GRB.BINARY)
+        y = {}
+        # yij =1 if duo ij is saved else 0
+        for edge in list(G1.edges):
+            y[edge[0],edge[1]]=m.addVar(vtype=gu.GRB.BINARY)
+        
+        m.update()
+        
+        #CONSTRAINTS
+        
+        for i in range(G1.order()):
+            for j in range(G2.order()):
+                if G1.nodes[i]['lbl']!= G2.nodes[j]['lbl']:
+                    m.addConstr(x[i, j]==0)
+        for i in range(G1.order()):
+            m.addConstr(gu.quicksum(x[i,j] for j in range(G2.order()))<=1)
+        for j in range(G2.order()):
+            m.addConstr(gu.quicksum(x[i,j] for i in range(G1.order()))<=1)
+        for edge1 in list(G1.edges):
+            m.addConstr(y[edge1[0],edge1[1]]<=gu.quicksum(x[edge1[0],edge2[0]]*x[edge1[1],edge2[1]] for edge2 in list(G2.edges)))
+        
+        #OBJECTIVE
+        m.setObjective(gu.quicksum(y[edge[0],edge[1]] for edge in list(G1.edges)), gu.GRB.MAXIMIZE)
+        
+        m.optimize()
+        self._sol=[]
+        for i in range(G1.order()):
+            for j in range(G2.order()):
+                if x[i,j].X>=0.99999:
+                    self._sol.append([i,j+G1.order()])
+        
+        for edge in list(G1.edges):
+            if y[edge[0],edge[1]].X>=0.99999:
+                self._preserved_duos_G1.append([edge[0],edge[1]])
+        
+        if m.status == 9:
+            #time limit reached
+            print(m.status)
+            return True
+        return False
+ 
+class Approx_alg:
+    '''an instance of this is needed to approximately compute the edge preservation similarity'''
+
+    def __init__(self):
+        self._name='EDGE-PRESERVATION-SIM-APPROX'
+        return None
+
+    def compute_duos(self,G1,G2):
+        '''this function is called to construct the matching(preserved duos) between graphs G1 and G2
+            It always needs to be called before evaluating it with the Evaluator to get a result'''
+
+        self.init_match(G1,G2)
+        self.complete_Sols(G1,G2)
+        self._best_eval=0
+        E=Evaluator()
+        for sol in self._sols:
+            if E.evaluate_sol(G1,G2,sol)>= self._best_eval:
+                self._best_eval=E._evaluation
+                self._sol=sol
+                
+    def matching_solver(self,G1,G2,LMG):
+        #reindexing nodes
+        edges=list(LMG.edges())
+        weights=[]
+        for i,edge in enumerate(edges):
+            weights.append(LMG[edge[0]][edge[1]]['weight'])
+            edges[i]=sorted(edge)
+        list_indices_G1=[]
+        list_indices_G2=[]
+        for node in LMG.nodes:
+            if node < G1.order():
+                list_indices_G1.append(node)
+            else:
+                list_indices_G2.append(node)
+        m=gu.Model()
+        m.setParam('OutputFlag', 0)
+        x={}
+        for i in list_indices_G1:
+            for j in list_indices_G2:
+                x[i,j]=m.addVar()
+        m.update()
+        for i in list_indices_G1:
+            m.addConstr(gu.quicksum(x[i,j] for j in list_indices_G2)<=1)
+        for j in list_indices_G2:
+            m.addConstr(gu.quicksum(x[i,j] for i in list_indices_G1)<=1)
+
+        m.setObjective(gu.quicksum(x[e[0],e[1]]*weights[i] for i,e in enumerate(edges)), gu.GRB.MAXIMIZE)
+        m.optimize()
+        sol=[]
+        for e in edges:
+                if x[e[0],e[1]].X >= 0.9999 :
+                    sol.append([e[0],e[1]])
+        return sol
+                
+            
+
+    def edge_weight(self,G1,v1_id,G2,v2_id):
+        '''weight of edge, number of duos that can be preserved locally by mapping V_g1 and V_g2'''
+        labels_G1 = self._labels_G1
+        labels_G2 = self._labels_G2
+        if labels_G1[v1_id]!=labels_G2[v2_id]:
+            return 0
+        all_attr=self._all_attr
+        num_child_by_attr_v1=np.zeros((len(all_attr)))
+        num_child_by_attr_v2=np.zeros((len(all_attr)))
+        for child in G1.neighbors(v1_id):
+            for i in range(len(all_attr)):
+                if labels_G1[child]==all_attr[i]:
+                    num_child_by_attr_v1[i]+=1
+        for child in G2.neighbors(v2_id):
+            for i in range(len(all_attr)):
+                if labels_G2[child]==all_attr[i]:
+                    num_child_by_attr_v2[i]+=1
+        score=0.00001
+        for i in range(len(all_attr)):
+            score+=min([num_child_by_attr_v1[i],num_child_by_attr_v2[i]])
+        return score
+    
+    def create_LM_graph(self,G1,G2):
+        '''creates a Local Match (LM)-Graph, a weighted bipartite graph containing all vertices of G1 and G2
+            only having edges between V_g1 and V-g2 that share the same label
+            label: weight of edge, number of duos that can be preserved locally by mapping V_g1 and V_g2
+            preserved duo: child nodes of V_g2 and V_g2 match'''
+        self._labels_G1 = nx.get_node_attributes(G1, "lbl")
+        self._labels_G2 = nx.get_node_attributes(G2, "lbl")
+        self._all_attr=list(set(list(nx.get_node_attributes(G1,'lbl').values()) +list(nx.get_node_attributes(G2,'lbl').values())))
+        indices_G1=list(range(G1.order()))
+        indices_G2=list(range(G1.order(),G1.order()+G2.order()))
+        LMG=nx.Graph()
+        LMG.add_nodes_from(indices_G1)
+        LMG.add_nodes_from(indices_G2)
+        for v in range(G1.order()):
+            LMG.nodes[v]['depth']=G1.nodes[v]['depth']
+        for v in range(G2.order()):
+            LMG.nodes[indices_G2[v]]['depth']=G2.nodes[v]['depth']
+        for v1 in range(G1.order()):
+            for v2 in range(G2.order()):
+                LMG.add_edge(v1,indices_G2[v2],weight=self.edge_weight(G1,v1,G2,v2))
+        return LMG
+    
+    def complete_Sols(self,G1,G2):
+        '''optimizes mapping
+            before this method: similarity of father to child nodes relevant
+            after: similarity also to incoporate child nodes of child nodes'''
+        Sols=self._sols
+        indices_G1=list(range(G1.order()))
+        indices_G2=list(range(G1.order(),G1.order()+G2.order()))
+        for s,Sol in enumerate(Sols):
+            unmatched=indices_G1+indices_G2
+            matched=[]
+            for edge in Sol:
+                matched.append(edge[0])
+                matched.append(edge[1])
+                unmatched.remove(edge[0])
+                unmatched.remove(edge[1])
+            RG=nx.Graph()
+            RG.add_nodes_from(unmatched)
+            for v1 in intersection(indices_G1,unmatched):
+                for v2 in intersection(indices_G2,unmatched):
+                    if G1.nodes[v1]['lbl']!=G2.nodes[v2-G1.order()]['lbl']:
+                        edge_weight=0
+                    else:
+                        edge_weight=0.000001
+                        if len(list(G1.predecessors(v1)))==len(list(G2.predecessors(v2-G1.order())))==1:
+                            f_v1=list(G1.predecessors(v1))[0]
+                            f_v2=list(G2.predecessors(v2-G1.order()))[0]
+                            if [f_v1,indices_G2[f_v2]] in Sol:
+                                edge_weight+=1
+                        matched_sons_v1=intersection(matched,G1.neighbors(v1))
+                        matched_sons_v2=intersection(matched,G2.neighbors(v2-G1.order()))
+                        for s_v1 in matched_sons_v1:
+                            for s_v2 in matched_sons_v2:
+                                if [s_v1,indices_G2[s_v2]] in Sol:
+                                    edge_weight+=1
+                    RG.add_edge(v1,v2,weight=edge_weight)
+            #sol_add=list(nx.max_weight_matching(RG))
+            sol_add=self.matching_solver(G1,G2,RG)
+            for i,match in enumerate(sol_add):
+                sol_add[i]=sorted(match)
+            Sols[s]=Sol+sol_add
+        self._sols=Sols
+            
+                
+    def init_match(self,G1,G2):
+        LMG=self.create_LM_graph(G1,G2)
+        #indices_G1=list(range(G1.order()))
+        #indices_G2=list(range(G1.order(),G1.order()+G2.order()))
+        V1_even=[]
+        V1_odd=[]
+        V2_even=[]
+        V2_odd=[]
+        for i,node in enumerate(LMG.nodes):
+            if LMG.nodes[node]['depth']%2==0:
+                if i<G1.order():
+                    V1_even.append(i)
+                else:
+                    V2_even.append(i)
+            elif i<G1.order():
+                V1_odd.append(i)
+            else:
+                V2_odd.append(i)
+        Vs=[]
+        Vs.append(V1_even+V2_even)
+        Vs.append(V1_even+V2_odd)
+        Vs.append(V1_odd+V2_even)
+        Vs.append(V1_odd+V2_odd)
+        Sols=[]
+        for V in Vs:
+            LMG_temp=LMG.subgraph(V)
+            #sol=list(nx.max_weight_matching(LMG_temp))
+            sol=self.matching_solver(G1,G2,LMG_temp)
+            for i,match in enumerate(sol):
+                sol[i]=sorted(match)
+            Sols.append(sol)
+        self._sols=Sols       
+    
+    
+
+def import_graph_coll(path):
+    '''reads in gml data and returns a list of lists of graphs''' 
+    graph_coll=[]
+    listdir=os.listdir(path)
+    for dire in listdir:
+        graph_coll.append([])
+        graphdir=os.listdir(path+'/'+dire)
+        for graph_file in graphdir:
+            graph_coll[-1].append(nx.readwrite.gml.read_gml(path+'/'+dire+'/'+graph_file,label='id'))
+    return graph_coll
+
+def graph_coll_edit(coll):
+    '''adds depth data to each vertex in the collection'''
+    for mR in coll:
+        for G in mR:
+           for node in G.nodes:
+               SP=nx.shortest_path_length(G,0)
+               G.nodes[node]['depth']=SP[node]
+    return coll
+
+
+def import_graph_names(path):
+    '''returns a list of names of graphs'''
+    listdir=os.listdir(path)
+    return listdir
diff --git a/notebooks_python/edge_preservation_similarity_main.py b/notebooks_python/edge_preservation_similarity_main.py
new file mode 100644
index 0000000..3d3419b
--- /dev/null
+++ b/notebooks_python/edge_preservation_similarity_main.py
@@ -0,0 +1,295 @@
+"""
+Created on Apr 2022
+
+@authors: jkiederle
+"""
+
+
+import os
+import numpy as np
+import time
+from datetime import date, datetime
+import pandas as pd
+from edge_preservation_similarity import *
+
+
+def compute_algorithm_helper_fast(algorithm, graph_coll, duos, times, time_limit_reached, time_limit_exact, normalize=False):
+    '''FUNCTION FOR DIRECT USE, IF NICE RESULTS WANTED USE compute_algorithm(), SEE BELOW
+        computes the given algorithm and returns similarity/distance values, runtime and whether a timelimit was reached
+        note:   fast means only one half of the matrix is computed and copied to other half (only important for APPROX)
+
+        input:  algorithm: possibilities:   'EDGE-PRESERVATION-SIM-APPROX' for approximation
+                                            'EDGE-PRESERVATION-SIM-EXACT' for exact measure
+                graph_coll:         graph collection
+                duos:               empty matrix in which similarity or distance measure results are returned
+                times:              empty matrix in which runtimes of algorithm are returned
+                time_limit_reached: empty matrix in which true/false are returned whether time limit was reached
+                time_limit_exact:   time limit in seconds, note: only implemented for 'EDGE-PRESERVATION-SIM-EXACT' as it is NP-hard
+                normalize:          flag, if true results are normalized by division by max(#edges in trees G1 or G2) 
+        output: duos, times, time_limit_reached - all matrices defined above'''
+
+    for i in range(len(graph_coll)):
+        for j in range(len(graph_coll)):
+        
+            # check whether you are at a position that needs computation (no computation below diagonal of matrix)
+
+            if i <= j:
+
+                G1=graph_coll[i][0]
+                G2=graph_coll[j][0]
+                value = 0.0
+
+                # compute value with algorithm
+                
+                tic=time.time()
+
+                timeflag = False
+                if algorithm == 'EDGE-PRESERVATION-SIM-EXACT':            
+                    timeflag = GU.compute_duos(G1,G2, time_limit_exact)
+                    print(timeflag)
+                    
+                elif algorithm == 'EDGE-PRESERVATION-SIM-APPROX':
+                    ALG.compute_duos(G1,G2)
+
+                tac=time.time()
+
+                # if time limit is reached put 0.0 and put True in time limit matrix
+                # else put false in time limit matrix (is already by default false)
+
+                if timeflag:
+                    duos[i][j] = 0.0
+                    times[i][j] = 0.0
+                    time_limit_reached[i][j] = True
+                    time_limit_reached[j][i] = True
+                else:
+                    times[i][j]=tac-tic
+                    times[j][i]=tac-tic
+                
+                print("Duration ", tac-tic)
+
+                
+                if algorithm == 'EDGE-PRESERVATION-SIM-EXACT':
+                    value = E.evaluate_sol(G1,G2,GU._sol)
+                elif algorithm == 'EDGE-PRESERVATION-SIM-APPROX':
+                    value = E.evaluate_sol(G1,G2,ALG._sol)
+
+                if normalize:
+                    value = normalize_value(value, G1, G2)
+                
+                duos[i][j] = value
+                duos[j][i] = value
+
+
+    return duos, times, time_limit_reached
+
+
+def compute_algorithm_helper_exact(algorithm, graph_coll, duos, times, time_limit_reached, time_limit_exact=0, normalize=False):
+    '''FUNCTION FOR DIRECT USE, IF NICE RESULTS WANTED USE compute_algorithm(), SEE BELOW
+        computes the given algorithm and returns similarity/distance values, runtime and whether a timelimit was reached
+        note:   exact means the entire matrix is computed. Symmetry is achieved by maximizing over the respective entries
+                more information see below (only important for APPROX)
+
+        input:  algorithm: possibilities    'EDGE-PRESERVATION-SIM-APPROX' for approximation
+                                            'EDGE-PRESERVATION-SIM-EXACT' for exact measure
+                graph_coll:         graph collection
+                duos:               empty matrix in which similarity or distance measure results are returned
+                times:              empty matrix in which runtimes of algorithm are returned
+                time_limit_reached: empty matrix in which true/false are returned whether time limit was reached
+                time_limit_exact:   time limit in seconds, note: only implemented for 'EDGE-PRESERVATION-SIM-EXACT' as it is NP-hard
+                normalize:          flag, if true results are normalized by division by max(#edges in trees G1 or G2) 
+        output: duos, times, time_limit_reached - all matrices defined above'''
+
+    for i in range(len(graph_coll)):
+        for j in range(len(graph_coll)):
+        
+            # compute all positions
+
+            G1=graph_coll[i][0]
+            G2=graph_coll[j][0]
+
+            # compute value with algorithm
+            # if time limit is reached put 0.0 and put True in time limit matrix
+            # else put false in time limit matrix (is already by default false)
+            #note: time limit only possible for 'EDGE-PRESERVATION-SIM-EXACT'
+
+            tic=time.time()
+
+            timeflag = False
+            if algorithm == 'EDGE-PRESERVATION-SIM-EXACT':              
+                timeflag = GU.compute_duos(G1,G2, time_limit_exact)
+                print(timeflag)
+                
+            elif algorithm == 'EDGE-PRESERVATION-SIM-APPROX':
+                ALG.compute_duos(G1,G2)
+
+            tac=time.time()
+
+            if timeflag:
+                duos[i][j] = 0.0
+                times[i][j] = 0.0
+                time_limit_reached[i][j] = True
+            else:
+                times[i][j] = tac-tic
+            
+            print("Duration ", tac-tic)
+
+            #final computation of the edge preservation similarity matrix based on the previously constructed duos matrix
+            if algorithm == 'EDGE-PRESERVATION-SIM-EXACT':
+                value = E.evaluate_sol(G1,G2,GU._sol)
+            elif algorithm == 'EDGE-PRESERVATION-SIM-APPROX':
+                value = E.evaluate_sol(G1,G2,ALG._sol)
+            
+            if normalize:
+                value = normalize_value(value, G1, G2)
+
+            #for getting a symmetric matrix
+            if j<i:
+                if duos[j,i] > value:
+                    duos[j,i] = value
+                    duos[i,j] = value
+                else:
+                    duos[i,j] = duos[j,i]
+            else:
+                duos[i][j] = value
+
+    return duos, times, time_limit_reached
+
+
+def sort_matrix(df):
+    '''sort matrix by row and col indices for easier comparison, inplace
+        input:  df: matrix as pandas dataframe'''
+    df.sort_index(key=lambda x: (x.to_series().str[3:].astype(int)), axis = 0, inplace=True)
+    df.sort_index(key=lambda x: (x.to_series().str[3:].astype(int)), axis = 1, inplace=True)
+
+
+def normalize_value(value, G1, G2):
+    '''normalize similarity value based on the maximum number of edges of the trees G1 and G2
+        input:  value: similarity value
+                G1, G2: trees of data type networkx graph'''
+    edge_count_G1 = G1.number_of_edges()
+    edge_count_G2 = G2.number_of_edges()
+
+    return value / max(edge_count_G1,edge_count_G2)
+
+def get_data(path):
+    '''reads in gml data and returns networkx graphs'''
+    graph_coll = []
+    graph_coll=import_graph_coll(path)   
+    graph_coll=graph_coll_edit(graph_coll)
+
+    return graph_coll
+
+
+
+def compute_algorithm(algorithm, in_path, out_path, time_limit=0, normalize=False, fast=False):
+    '''FUNCTION FOR USE OF ALGORITHM AND NICE RESULTS
+        computes the given algorithm and returns similarity/distance values, runtime and whether a timelimit was reached
+        note:   exact means the entire matrix is computed. Symmetry is achieved by maximizing over the respective entries
+                more information see below (only important for APPROX)
+
+        input:  algorithm: possibilities    'EDGE-PRESERVATION-SIM-APPROX' for approximation
+                                            'EDGE-PRESERVATION-SIM-EXACT' for exact measure
+                time_limit:         time limit in seconds, note: only implemented for 'EDGE-PRESERVATION-SIM-EXACT' as it is NP-hard
+                normalize:          flag, if true results are normalized by division by max(#edges in trees G1 or G2)
+                fast:               flag, if true only upper half of matrix is computed and then mirrored
+                                        -> is less exact for 'EDGE-PRESERVATION-SIM-APPROX'
+        saves:  report file (txt file)
+                matrices of computed values, runtime and whether the runtime expired (csv files)'''
+
+    E=Evaluator()
+    ALG=Approx_alg()
+    GU=Gurobi_solver(0)
+
+    date_time = str(date.today().strftime("%b_%d_%Y"))+ "-" + str(datetime.now().strftime("%H_%M"))
+
+    #get data in gml format
+    graph_coll = get_data(in_path)
+    
+    graph_names_list = import_graph_names(in_path)
+    
+    print('in_path ', in_path)   
+
+    out_path = out_path + '_results_' + algorithm + "_" + date_time
+
+    os.mkdir(out_path)
+    f = open(out_path + "/report.txt","a")
+
+    f.write("Report for " + date_time + "\n")
+    f.write("in_path: " + str(in_path) + "\n")
+    f.write("outpath: " + str(out_path) + "\n")
+    f.write("algorithm: " + algorithm + "\n")
+    
+    if algorithm == 'EDGE-PRESERVATION-SIM-EXACT':
+        f.write("time_limit: " + str(time_limit) + "\n")
+        #always use fast version as fast and exact version do not differ for 'EDGE-PRESERVATION-SIM-EXACT'
+        f.write("fast version: " + str(True) + "\n")
+    else:
+        #fast and exact version only differ for 'EDGE-PRESERVATION-SIM-APPROX'
+        f.write("fast version: " + str(fast) + "\n") 
+
+         
+
+
+    duos= np.zeros((len(graph_names_list),len(graph_names_list)))
+    times=np.zeros((len(graph_names_list),len(graph_names_list)))
+    time_limit_reached =np.zeros((len(graph_names_list),len(graph_names_list)))
+
+    first_time = time.time()
+
+    if algorithm == 'EDGE-PRESERVATION-SIM-APPROX' and not fast:
+        #fast and exact version only differ for 'EDGE-PRESERVATION-SIM-APPROX'
+        duos, times, time_limit_reached = compute_algorithm_helper_exact(algorithm, graph_coll, duos, times, time_limit_reached, time_limit)
+    else:
+        #always use fast version as fast and exact version do not differ for 'EDGE-PRESERVATION-SIM-EXACT'
+        duos, times, time_limit_reached = compute_algorithm_helper_fast(algorithm, graph_coll, duos, times, time_limit_reached, time_limit)
+
+    entire_duration = time.time()-first_time
+
+
+    f.write("entire duration: " + str(entire_duration) + "\n")
+
+    df_duos = pd.DataFrame(data=duos, index=graph_names_list, columns=graph_names_list)
+    df_duos_times = pd.DataFrame(data=times, index=graph_names_list, columns=graph_names_list)
+    df_duos_limit = pd.DataFrame(data=time_limit_reached, index=graph_names_list, columns=graph_names_list)
+
+    #sort the matrices from small to big according to the name of the files (graph_names_list)
+    sort_matrix(df_duos)
+    sort_matrix(df_duos_times)
+    sort_matrix(df_duos_limit)
+
+    df_duos.to_csv(out_path + '/df_values_' + algorithm + '.csv')
+    df_duos_times.to_csv(out_path + '/df_times_' + algorithm + '.csv')
+    df_duos_limit.to_csv(out_path + '/df_time_limit_reached_' + algorithm + '.csv')
+
+
+# choose 'EDGE-PRESERVATION-SIM-APPROX' for approximation or 'EDGE-PRESERVATION-SIM-EXACT' for exact measure
+algorithm = 'EDGE-PRESERVATION-SIM-EXACT' 
+time_limit = 600   #10 min but only applicable and needed for 'EDGE-PRESERVATION-SIM-EXACT'
+
+result_path = "/home/jana/Documents/BIONETs/Code/tree_match_approx_validator/final_results_data/results/"
+
+E=Evaluator()
+ALG=Approx_alg()
+GU=Gurobi_solver(0)
+
+date_time = str(date.today().strftime("%b_%d_%Y"))+ "-" + str(datetime.now().strftime("%H_%M"))
+
+path="/home/jana/Documents/BIONETs/Code/tree_match_approx_validator/all_other_data/scalability_trees/tree_blocks_gml/20"
+
+#path = "/home/jana/Documents/BIONETs/Code/tree_match_approx_validator/all_other_data/gml_data"
+
+compute_algorithm(algorithm, path, result_path, time_limit=0, normalize=False, fast=False)
+
+'''for i in range(len(all_max_n)):
+
+    max_n = all_max_n[i]
+
+
+    graph_coll = []
+    
+    path="/home/jana/Documents/BIONETs/Code/tree_match_approx_validator/all_other_data/scalability_trees/tree_blocks_gml/" + str(max_n)
+
+
+    compute_algorithm(algorithm, path, result_path, time_limit=0, normalize=False)'''
+
+    
\ No newline at end of file
-- 
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