diff --git a/ipsuite/analysis/__init__.py b/ipsuite/analysis/__init__.py index 63a848f0..e7f0c716 100644 --- 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 index eedeb08e..2e74d5df 100644 --- 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 index 8edad638..12dc0dfb 100644 --- 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 index 08eb080d..ec8789e0 100644 --- 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 index 6f3d1787..480a3509 100644 --- 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()