The ihm.analysis
Python module¶
Classes for handling the analysis of a modeling run.
- class ihm.analysis.Step(feature, num_models_begin, num_models_end, assembly=None, dataset_group=None, software=None, script_file=None, details=None)[source]¶
A single step in an
Analysis
.Normally one of the more specific derived classes is used; see
FilterStep
,ClusterStep
,RescoreStep
,ValidationStep
, andEmptyStep
, although this base class can be used for a generic ‘other’ step.- Parameters:
feature (str) – feature energy/score;RMSD;dRMSD;other
num_models_begin (int) – The number of models at the beginning of the step
num_models_end (int) – The number of models at the end of the step
assembly (
Assembly
) – The part of the system analyzed in this stepdataset_group (
DatasetGroup
) – The collection of datasets used in this analysis, if applicablesoftware (
Software
) – The software used in this stepscript_file (
Location
) – Reference to the external file containing the script used in this step (usually aWorkflowFileLocation
).details (str) – Additional text describing this step
- property feature¶
The feature used in the analysis, if applicable
- class ihm.analysis.FilterStep(feature, num_models_begin, num_models_end, assembly=None, dataset_group=None, software=None, script_file=None, details=None)[source]¶
A single filtering step in an
Analysis
. SeeStep
for a description of the parameters.
- class ihm.analysis.ClusterStep(feature, num_models_begin, num_models_end, assembly=None, dataset_group=None, software=None, script_file=None, details=None)[source]¶
A single clustering step in an
Analysis
. SeeStep
for a description of the parameters.
- class ihm.analysis.RescoreStep(feature, num_models_begin, num_models_end, assembly=None, dataset_group=None, software=None, script_file=None, details=None)[source]¶
A single rescoring step in an
Analysis
. SeeStep
for a description of the parameters.
- class ihm.analysis.ValidationStep(feature, num_models_begin, num_models_end, assembly=None, dataset_group=None, software=None, script_file=None, details=None)[source]¶
A single validation step in an
Analysis
. SeeStep
for a description of the parameters.
- class ihm.analysis.EmptyStep[source]¶
A ‘do nothing’ step in an
Analysis
. This can be used if modeling outputs were used directly without any kind of analysis.