rename to RattleAnalysis (#128)

zincware · Jun 12, 2023 · 6bb7842 · 6bb7842
1 parent 03d7c9c
commit 6bb7842
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Showing 5 changed files with 7 additions and 7 deletions.
diff --git a/ipsuite/analysis/__init__.py b/ipsuite/analysis/__init__.py
@@ -16,7 +16,7 @@
     NaNCheck,
     Prediction,
     PredictionMetrics,
-    RattleAtoms,
+    RattleAnalysis,
     TemperatureCheck,
     ThresholdCheck,
 )
@@ -33,7 +33,7 @@
     "ModelEnsembleAnalysis",
     "PredictionMetrics",
     "ForceAngles",
-    "RattleAtoms",
+    "RattleAnalysis",
     "Prediction",
     "BoxScale",
     "BoxHeatUp",

diff --git a/ipsuite/analysis/model/__init__.py b/ipsuite/analysis/model/__init__.py
@@ -2,7 +2,7 @@
     BoxHeatUp,
     BoxScale,
     MDStability,
-    RattleAtoms,
+    RattleAnalysis,
 )
 from ipsuite.analysis.model.dynamics_checks import (
     ConnectivityCheck,
@@ -23,7 +23,7 @@
     "ForceAngles",
     "PredictionMetrics",
     "ForceDecomposition",
-    "RattleAtoms",
+    "RattleAnalysis",
     "BoxHeatUp",
     "BoxScale",
     "EnergySpikeCheck",

diff --git a/ipsuite/analysis/model/dynamics.py b/ipsuite/analysis/model/dynamics.py
@@ -25,7 +25,7 @@
 log = logging.getLogger(__name__)
 
 
-class RattleAtoms(base.ProcessSingleAtom):
+class RattleAnalysis(base.ProcessSingleAtom):
     """Move particles with a given stdev from a starting configuration and predict.
 
     Attributes

diff --git a/ipsuite/nodes.py b/ipsuite/nodes.py
@@ -50,7 +50,7 @@ class _Nodes:
     ModelEnsembleAnalysis = "ipsuite.analysis.ModelEnsembleAnalysis"
     PredictionMetrics = "ipsuite.analysis.PredictionMetrics"
     ForceAngles = "ipsuite.analysis.ForceAngles"
-    RattleAtoms = "ipsuite.analysis.RattleAtoms"
+    RattleAnalysis = "ipsuite.analysis.RattleAnalysis"
     Prediction = "ipsuite.analysis.Prediction"
     BoxScale = "ipsuite.analysis.BoxScale"
     BoxHeatUp = "ipsuite.analysis.BoxHeatUp"

diff --git a/tests/integration/test_i_model_analysis.py b/tests/integration/test_i_model_analysis.py
@@ -94,7 +94,7 @@ def test_RattleAnalysis(trained_model):
     project, model, validation_selection = trained_model
 
     with project:
-        analysis = ipsuite.analysis.RattleAtoms(model=model, data=validation_selection)
+        analysis = ipsuite.analysis.RattleAnalysis(model=model, data=validation_selection)
     project.run()
 
     analysis.load()