fix: Run rSPR when tree has duplicated nodes (#191)

* refactor: Stop analysing trees with duplicate nodes

Signed-off-by: jvfe <[email protected]>

* fix: Update rooted_gene_trees in rspr_exact

Signed-off-by: jvfe <[email protected]>

---------

Signed-off-by: jvfe <[email protected]>

bin/rspr_approx.py

@@ -85,12 +85,21 @@ def parse_args(args=None):
     )
     return parser.parse_args(args)
 
+def check_formatted_tree(tree_string):
+    """Check if formatted tree has duplicate nodes"""
+
+    pattern = r'([a-zA-Z]+\w{3,}):.*\1'
+    match = re.search(pattern, tree_string)
+
+    return bool(match)
 
 def read_tree(input_path):
     with open(input_path, "r") as f:
         tree_string = f.read()
         formatted = re.sub(r";[^:]+:", ":", tree_string)
-        return Tree(formatted)
+        is_duplicated = check_formatted_tree(formatted)
+
+        return Tree(formatted), is_duplicated
 
 
 #####################################################################
@@ -102,12 +111,27 @@ def read_tree(input_path):
 #####################################################################
 
 
-def root_tree(input_path, output_path):
-    tre = read_tree(input_path)
+def root_tree(input_path, basename, output_path):
+    tre,is_duplicated = read_tree(input_path)
+    midpoint = tre.get_midpoint_outgroup()
+    tre.set_outgroup(midpoint)
+    if is_duplicated:
+        outdir = Path(output_path) / "multiple"
+        Path(outdir).mkdir(exist_ok=True, parents=True)
+        output_path = outdir / basename
+        output_path = str(output_path).replace(".tre", ".tre.multiple")
+    else:
+        outdir = Path(output_path) / "unique"
+        Path(outdir).mkdir(exist_ok=True, parents=True)
+        output_path = outdir / basename
+
+    tre.write(outfile=output_path)
+    return tre.write(), len(tre.get_leaves()), output_path, is_duplicated
+
+def root_reference_tree(input_path, output_path):
+    tre, _ = read_tree(input_path)
     midpoint = tre.get_midpoint_outgroup()
     tre.set_outgroup(midpoint)
-    if not os.path.exists(os.path.dirname(output_path)):
-        os.makedirs(os.path.dirname(output_path))
     tre.write(outfile=output_path)
     return tre.write(), len(tre.get_leaves())
 
@@ -135,20 +159,23 @@ def root_trees(core_tree, gene_trees_path, output_dir, results, merge_pair=False
     rooted_reference_tree = os.path.join(
         output_dir, "rooted_reference_tree/core_gene_alignment.tre"
     )
-    refer_content, refer_tree_size = root_tree(reference_tree, rooted_reference_tree)
+    refer_content, refer_tree_size = root_reference_tree(reference_tree, rooted_reference_tree)
 
     df_gene_trees = pd.read_csv(gene_trees_path)
     rooted_gene_trees_path = os.path.join(output_dir, "rooted_gene_trees")
     for filename in df_gene_trees["path"]:
         basename = Path(filename).name
-        rooted_gene_tree_path = os.path.join(rooted_gene_trees_path, basename)
-        gene_content, gene_tree_size = root_tree(filename, rooted_gene_tree_path)
-        results.loc[basename, "tree_size"] = gene_tree_size
+        gene_content, gene_tree_size, gene_tree_path, is_duplicated = root_tree(
+                                                                filename,
+                                                                basename,
+                                                                rooted_gene_trees_path)
+        if not is_duplicated:
+            results.loc[basename, "tree_size"] = gene_tree_size
         if merge_pair:
-            with open(rooted_gene_tree_path, "w") as f2:
+            with open(gene_tree_path, "w") as f2:
                 f2.write(refer_content + "\n" + gene_content)
     #'''
-    return rooted_gene_trees_path
+    return os.path.join(rooted_gene_trees_path, "unique")
 
 
 #####################################################################
@@ -212,7 +239,7 @@ def approx_rspr(
         "-length " + str(min_branch_len),
         "-support " + str(max_support_threshold),
     ]
-    
+
     group_size = 10000
     cur_count = 0
     lst_filename = []
@@ -498,7 +525,7 @@ def main(args=None):
     # Generate group heatmap
     group_fig_path = os.path.join(args.OUTPUT_DIR, "group_output.png")
     make_group_heatmap(
-        results, 
+        results,
         group_fig_path,
         args.MIN_HEATMAP_RSPR_DISTANCE,
         args.MAX_HEATMAP_RSPR_DISTANCE

bin/rspr_exact.py

@@ -88,7 +88,7 @@ def fpt_rspr(results_df, min_branch_len=0, max_support_threshold=0.7, gather_clu
         "-support " + str(max_support_threshold),
     ]
 
-    trees_path = os.path.join("rooted_gene_trees")
+    trees_path = os.path.join("rooted_gene_trees/unique")
 
     cluster_file = None
     if gather_cluster_info:
@@ -123,13 +123,13 @@ def fpt_rspr(results_df, min_branch_len=0, max_support_threshold=0.7, gather_clu
                         continue
                     elif "Clusters end" in line:
                         clustering_start = False
-                    
+
                     if clustering_start:
                         updated_line = line.replace('(', '').replace(')', '').replace('\n', '')
                         cluster_nodes = updated_line.split(',')
                         cluster_nodes = [int(node) for node in cluster_nodes if "X" not in node]
                         clusters.append(cluster_nodes)
-                    
+
                     output_lines.append(line)
                 cluster_file.write(json.dumps(clusters) + '\n')
                 process.wait()