From 0c95b3a5120129544cee30654b5d462631a296a2 Mon Sep 17 00:00:00 2001
From: Tanushree Tunstall <tanu@tunstall.in>
Date: Tue, 9 Feb 2021 18:28:16 +0000
Subject: [PATCH] testing dynamut script

---
 dynamut/dynamut_test.py | 26 +++++++++++++++-----------
 1 file changed, 15 insertions(+), 11 deletions(-)

diff --git a/dynamut/dynamut_test.py b/dynamut/dynamut_test.py
index 3e8ed34..8ad2eef 100755
--- a/dynamut/dynamut_test.py
+++ b/dynamut/dynamut_test.py
@@ -19,13 +19,17 @@ import pandas as pd
 from pandas.api.types import is_string_dtype
 from pandas.api.types import is_numeric_dtype
 #%%============================================================================
+#streptomycin/gid_complex.pdb
+host_dynamut = 'http://biosig.unimelb.edu.au/dynamut'
+pred_dynamut_batch = '/results_prediction/161287964015'
+result_id = re.search( r"([0-9]+)$", pred_dynamut).group(0)
 
-batch_result_url = 'http://biosig.unimelb.edu.au/dynamut/results_prediction/15955901077'
-
-mut = 'S104R'
-single_result_url = 'http://biosig.unimelb.edu.au/dynamut/single_results/15955901077' + '/' + mut
-
+batch_result_url = host_dynamut + pred_dynamut_batch
 
+mut = 'S2C'
+single_url = host_dynamut + '/single_results/' + str(result_id)
+single_result_url = host_dynamut + '/single_results/' + str(result_id) + '/' + mut
+print(single_result_url)
 
 #%%============================================================================
 param_dict = {}
@@ -54,20 +58,20 @@ if result_response.status_code == 200:
             }
         results_df = pd.DataFrame.from_dict(param_dict, orient = "index").T  
 
+print(results_df)
+
 #%% for loop
-#%%
-host_dynamut = 'http://biosig.unimelb.edu.au/dynamut'
-batch_url_number = re.search(r'([0-9]+)$', batch_result_url).group(0) 
-single_url = host_dynamut + '/single_results/' + batch_url_number
+
+single_url = host_dynamut + '/single_results/' + str(result_id)
      
-muts = ["S104R", "G24R"]
+muts = ["S2C", "S2F"]
 
 # initilialise empty df
 dynamut_results_df = pd.DataFrame()
 
 for i, mut in enumerate(muts):
     #param_dict = {}
-    print('Running mutation', i, ':', mut)
+    print('Running mutation', i+1, ':', mut)
     snp = mut
     single_result_url = single_url + '/' + snp
     print('Getting results from:',  single_result_url)