From 0eee0c1a5c9ec79109d77f4979bb95df9302e6a5 Mon Sep 17 00:00:00 2001
From: "Adam M. Krajewski" <54290107+amkrajewski@users.noreply.github.com>
Date: Mon, 12 Feb 2024 13:22:22 -0500
Subject: [PATCH] (RSS) tests for `KS2022_randomSolutions` now have tighter
 convergence limits thanks to the two-iteration convergence requirement; added
 new reference data

---
 ...KS2022_randomSolution_valueRangesMeans.csv | 512 +++++++++---------
 pysipfenn/tests/test_KS2022_randomSolution.py |   5 +-
 2 files changed, 260 insertions(+), 257 deletions(-)

diff --git a/pysipfenn/tests/testCaseFiles/TestFile_DescriptorData_KS2022_randomSolution_valueRangesMeans.csv b/pysipfenn/tests/testCaseFiles/TestFile_DescriptorData_KS2022_randomSolution_valueRangesMeans.csv
index 731f1a8..e357428 100644
--- a/pysipfenn/tests/testCaseFiles/TestFile_DescriptorData_KS2022_randomSolution_valueRangesMeans.csv
+++ b/pysipfenn/tests/testCaseFiles/TestFile_DescriptorData_KS2022_randomSolution_valueRangesMeans.csv
@@ -1,256 +1,256 @@
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-2.25653E-13	,	8.41582E-14
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-1.4406951	,	1.630815723
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-3.031089	,	12.19442395
-0.69352	,	9.54204688
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-5.103964	,	16.96042466
-1.143624	,	15.94405229
-0.7997267	,	4.173909624
-3.4152157	,	3.301960464
-5.195869	,	30.99760564
-7.014918	,	27.69564488
-38.30625	,	497.9362926
-21.44297	,	118.9397736
-172.6905	,	138.1111104
-225.01376	,	1032.616791
-239.11011	,	894.505668
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diff --git a/pysipfenn/tests/test_KS2022_randomSolution.py b/pysipfenn/tests/test_KS2022_randomSolution.py
index 45ac2a5..4290863 100644
--- a/pysipfenn/tests/test_KS2022_randomSolution.py
+++ b/pysipfenn/tests/test_KS2022_randomSolution.py
@@ -29,7 +29,10 @@ def test_results(self):
         feature converges to near exactly the mean value with near-zero range (e.g. coordination number in BCC in case
         of ideal lattice positions).
         '''
-        testValues, meta = KS2022_randomSolutions.profile(test='BCC', returnDescriptorAndMeta=True, plotParameters=True)
+        testValues, meta = KS2022_randomSolutions.profile(
+            test='BCC',
+            returnDescriptorAndMeta=True,
+            plotParameters=True)
 
         for testValue, descriptorRange, descriptorMean, label in zip(
                 testValues,