updated dna regression baselines; conf entropy results now match results after conformational entropy bug fix

Author: ioanaapapa

tests/regression/baselines/dna/axes_off.json

@@ -3,10 +3,10 @@
     "0": {
       "components": {
         "united_atom:Transvibrational": 0.0,
-        "united_atom:Rovibrational": 1.059570862169077,
+        "united_atom:Rovibrational": 1.0595708621690758,
         "residue:Transvibrational": 0.0,
         "residue:Rovibrational": 28.25555780171021,
-        "polymer:FTmat-Transvibrational": 48.10401202541478,
+        "polymer:FTmat-Transvibrational": 48.10401202541479,
         "polymer:FTmat-Rovibrational": 0.0,
         "united_atom:Conformational": 10.584542990557836,
         "residue:Conformational": 5.292271495278918,
@@ -17,9 +17,9 @@
     "1": {
       "components": {
         "united_atom:Transvibrational": 0.0,
-        "united_atom:Rovibrational": 1.3193251286991992,
+        "united_atom:Rovibrational": 1.3193251286991976,
         "residue:Transvibrational": 0.0,
-        "residue:Rovibrational": 24.961990015318925,
+        "residue:Rovibrational": 24.96199001531892,
         "polymer:FTmat-Transvibrational": 57.35678551116437,
         "polymer:FTmat-Rovibrational": 0.0,
         "united_atom:Conformational": 5.292271495278918,

tests/regression/baselines/dna/combined_forcetorque_off.json

@@ -3,7 +3,7 @@
     "0": {
       "components": {
         "united_atom:Transvibrational": 0.0,
-        "united_atom:Rovibrational": 0.002160679012128453,
+        "united_atom:Rovibrational": 0.0021606790121284584,
         "residue:Transvibrational": 0.0,
         "residue:Rovibrational": 3.385663647984109,
         "polymer:Transvibrational": 21.18266215491191,
@@ -17,7 +17,7 @@
     "1": {
       "components": {
         "united_atom:Transvibrational": 0.0,
-        "united_atom:Rovibrational": 0.018464277659495876,
+        "united_atom:Rovibrational": 0.01846427765949588,
         "residue:Transvibrational": 0.0,
         "residue:Rovibrational": 2.437317643397837,
         "polymer:Transvibrational": 16.607667396609134,

tests/regression/baselines/dna/default.json

@@ -3,7 +3,7 @@
     "0": {
       "components": {
         "united_atom:Transvibrational": 0.0,
-        "united_atom:Rovibrational": 0.002160679012128453,
+        "united_atom:Rovibrational": 0.0021606790121284584,
         "residue:Transvibrational": 0.0,
         "residue:Rovibrational": 3.385663647984109,
         "polymer:FTmat-Transvibrational": 12.341104347192614,
@@ -17,7 +17,7 @@
     "1": {
       "components": {
         "united_atom:Transvibrational": 0.0,
-        "united_atom:Rovibrational": 0.018464277659495876,
+        "united_atom:Rovibrational": 0.01846427765949588,
         "residue:Transvibrational": 0.0,
         "residue:Rovibrational": 2.437317643397837,
         "polymer:FTmat-Transvibrational": 11.110372533885974,

tests/regression/baselines/dna/frame_window.json

@@ -3,7 +3,7 @@
     "0": {
       "components": {
         "united_atom:Transvibrational": 0.0,
-        "united_atom:Rovibrational": 1.5821720528374925,
+        "united_atom:Rovibrational": 1.5821720528374947,
         "residue:Transvibrational": 0.0,
         "residue:Rovibrational": 28.25555780171021,
         "polymer:FTmat-Transvibrational": 48.10401202541479,
@@ -12,12 +12,12 @@
         "residue:Conformational": 5.292271495278918,
         "polymer:Orientational": 4.758905336627712
       },
-      "total": 93.28519020714803
+      "total": 98.57746170242696
     },
     "1": {
       "components": {
         "united_atom:Transvibrational": 0.0,
-        "united_atom:Rovibrational": 2.5277936366208014,
+        "united_atom:Rovibrational": 2.527793636620802,
         "residue:Transvibrational": 0.0,
         "residue:Rovibrational": 24.96199001531892,
         "polymer:FTmat-Transvibrational": 57.35678551116437,

tests/regression/baselines/dna/grouping_each.json

@@ -3,7 +3,7 @@
     "0": {
       "components": {
         "united_atom:Transvibrational": 0.0,
-        "united_atom:Rovibrational": 0.002160679012128453,
+        "united_atom:Rovibrational": 0.0021606790121284584,
         "residue:Transvibrational": 0.0,
         "residue:Rovibrational": 3.385663647984109,
         "polymer:FTmat-Transvibrational": 12.341104347192614,
@@ -17,7 +17,7 @@
     "1": {
       "components": {
         "united_atom:Transvibrational": 0.0,
-        "united_atom:Rovibrational": 0.018464277659495876,
+        "united_atom:Rovibrational": 0.01846427765949588,
         "residue:Transvibrational": 0.0,
         "residue:Rovibrational": 2.437317643397837,
         "polymer:FTmat-Transvibrational": 11.110372533885974,

tests/regression/baselines/dna/selection_subset.json

@@ -3,7 +3,7 @@
     "0": {
       "components": {
         "united_atom:Transvibrational": 0.0,
-        "united_atom:Rovibrational": 0.002160679012128453,
+        "united_atom:Rovibrational": 0.0021606790121284584,
         "residue:Transvibrational": 0.0,
         "residue:Rovibrational": 3.385663647984109,
         "polymer:FTmat-Transvibrational": 12.341104347192614,
@@ -17,7 +17,7 @@
     "1": {
       "components": {
         "united_atom:Transvibrational": 0.0,
-        "united_atom:Rovibrational": 0.018464277659495876,
+        "united_atom:Rovibrational": 0.01846427765949588,
         "residue:Transvibrational": 0.0,
         "residue:Rovibrational": 2.437317643397837,
         "polymer:FTmat-Transvibrational": 11.110372533885974,