From 87095a0845e148d10d5235564ddddabf0ad4f9b9 Mon Sep 17 00:00:00 2001
From: Mark Driver <mdd31@cam.ac.uk>
Date: Fri, 7 Jul 2017 10:38:16 +0100
Subject: [PATCH] updated function to produce information for all orders.
---
.../polynomialanalysis/polynomialdataanalysis.py | 12 ++++++++----
.../polynomialdataanalysistest.py | 2 +-
2 files changed, 9 insertions(+), 5 deletions(-)
diff --git a/solventmapcreator/polynomialanalysis/polynomialdataanalysis.py b/solventmapcreator/polynomialanalysis/polynomialdataanalysis.py
index c289ae9..27ce82f 100644
--- a/solventmapcreator/polynomialanalysis/polynomialdataanalysis.py
+++ b/solventmapcreator/polynomialanalysis/polynomialdataanalysis.py
@@ -24,15 +24,19 @@ def get_total_sorted_by_alt_metric(full_order_list, best_order_sorted_dict):
for i in range(len(full_order_list)):
order = full_order_list[i]
order_info = []
- for j in range(len(order_tuple)):
+ for j in range(len(full_order_list)):
+
sorted_dict_order = full_order_list[j]
- if order in best_order_sorted_dict[sorted_dict_order].keys():
- order_info.append(len(best_order_sorted_dict[sorted_dict_order][order]))
+ if sorted_dict_order in best_order_sorted_dict.keys():
+ if order in best_order_sorted_dict[sorted_dict_order].keys():
+ order_info.append(len(best_order_sorted_dict[sorted_dict_order][order]))
+ else:
+ order_info.append(0)
else:
order_info.append(0)
numbers_by_order.append(tuple(order_info))
numbers_by_order_tuple = tuple(numbers_by_order)
- return (order_tuple, numbers_by_order_tuple)
+ return (tuple(full_order_list), numbers_by_order_tuple)
def get_total_by_fit_order(best_order_dict):
"""This returns a tuple containing the order, and also the number of
diff --git a/solventmapcreator/test/polynomialanalysistest/polynomialdataanalysistest.py b/solventmapcreator/test/polynomialanalysistest/polynomialdataanalysistest.py
index 3e1927d..a525d85 100644
--- a/solventmapcreator/test/polynomialanalysistest/polynomialdataanalysistest.py
+++ b/solventmapcreator/test/polynomialanalysistest/polynomialdataanalysistest.py
@@ -55,7 +55,7 @@ class PolynomialDataAnalysisTestCase(unittest.TestCase):
rmse_solvent_id_dict = polynomialdataanalysis.get_solvent_id_by_order(self.rmse_dict)
covar_solvent_id_dict = polynomialdataanalysis.get_solvent_id_by_order(self.covar_dict)
ordered_id_dict = polynomialdataanalysis.generate_lists_by_alt_metric(rmse_solvent_id_dict, covar_solvent_id_dict)
- expected_tuple = ((1,),((1,),(1,)))
+ expected_tuple = ((1, 2),((1, 0),(1, 0)))
actual_tuple = polynomialdataanalysis.get_total_sorted_by_alt_metric([1, 2], ordered_id_dict)
self.assertEqual(expected_tuple, actual_tuple)
def test_get_total_by_fit_order(self):
--
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