org.rcsb.cif.schema.mm.IhmEnsembleInfo Maven / Gradle / Ivy
package org.rcsb.cif.schema.mm;
import org.rcsb.cif.model.*;
import org.rcsb.cif.schema.*;
import javax.annotation.Generated;
/**
* Data items in the IHM_ENSEMBLE_INFO category records the
* details of the model clusters or ensembles obtained after
* sampling.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class IhmEnsembleInfo extends DelegatingCategory {
public IhmEnsembleInfo(Category delegate) {
super(delegate);
}
@Override
protected Column createDelegate(String columnName, Column column) {
switch (columnName) {
case "ensemble_id":
return getEnsembleId();
case "ensemble_name":
return getEnsembleName();
case "post_process_id":
return getPostProcessId();
case "model_group_id":
return getModelGroupId();
case "ensemble_clustering_method":
return getEnsembleClusteringMethod();
case "ensemble_clustering_feature":
return getEnsembleClusteringFeature();
case "num_ensemble_models":
return getNumEnsembleModels();
case "num_ensemble_models_deposited":
return getNumEnsembleModelsDeposited();
case "ensemble_precision_value":
return getEnsemblePrecisionValue();
case "ensemble_file_id":
return getEnsembleFileId();
case "details":
return getDetails();
case "sub_sample_flag":
return getSubSampleFlag();
case "sub_sampling_type":
return getSubSamplingType();
default:
return new DelegatingColumn(column);
}
}
/**
* A unique id for the ensemble.
* @return IntColumn
*/
public IntColumn getEnsembleId() {
return delegate.getColumn("ensemble_id", DelegatingIntColumn::new);
}
/**
* An optional name for the cluster or ensemble for better description.
* @return StrColumn
*/
public StrColumn getEnsembleName() {
return delegate.getColumn("ensemble_name", DelegatingStrColumn::new);
}
/**
* An identifier for the post modeling analyses carried out.
* This data item is a pointer to _ihm_modeling_post_process.id in
* the IHM_MODELING_POST_PROCESS category.
* @return IntColumn
*/
public IntColumn getPostProcessId() {
return delegate.getColumn("post_process_id", DelegatingIntColumn::new);
}
/**
* An identifier for the cluster or group of models being deposited.
* This data item is a pointer to the _ihm_model_group.id
* in the IHM_MODEL_GROUP category.
* @return IntColumn
*/
public IntColumn getModelGroupId() {
return delegate.getColumn("model_group_id", DelegatingIntColumn::new);
}
/**
* The clustering method used to obtain the ensemble, if applicable.
* @return StrColumn
*/
public StrColumn getEnsembleClusteringMethod() {
return delegate.getColumn("ensemble_clustering_method", DelegatingStrColumn::new);
}
/**
* The parameter/feature used for clustering the models, if applicable.
* @return StrColumn
*/
public StrColumn getEnsembleClusteringFeature() {
return delegate.getColumn("ensemble_clustering_feature", DelegatingStrColumn::new);
}
/**
* The number of models in the current ensemble being described.
* @return IntColumn
*/
public IntColumn getNumEnsembleModels() {
return delegate.getColumn("num_ensemble_models", DelegatingIntColumn::new);
}
/**
* The number of models from the current ensemble that is deposited.
* @return IntColumn
*/
public IntColumn getNumEnsembleModelsDeposited() {
return delegate.getColumn("num_ensemble_models_deposited", DelegatingIntColumn::new);
}
/**
* The precision of each cluster or ensemble is calculated as dRMSD, which
* is the average C-alpha distance root mean square deviation (dRMSD)
* between the individual models in the cluster and the cluster centroid.
* The cluster centroid is defined as the model with the minimal sum of
* dRMSDs to the other models in the cluster or ensemble.
* @return FloatColumn
*/
public FloatColumn getEnsemblePrecisionValue() {
return delegate.getColumn("ensemble_precision_value", DelegatingFloatColumn::new);
}
/**
* A reference to the external file containing the structural models
* in the ensemble. The number of models in the external file should
* correspond to the number of models in the ensemble. This data item
* is a pointer to _ihm_external_files.id in the IHM_EXTERNAL_FILES
* category.
* It is recommended that the large ensemble files be stored as separate
* zip files within the same DOI. It is also recommended that large sphere
* model ensembles be in binary format, which facilitates faster access.
* Currently, a binary dump of co-ordinates in dcd format is suggested.
* The topology can be inferred from the IHM_SPHERE_OBJ_SITE and the
* ATOM_SITE categories in the corresponding mmCIF file.
* @return IntColumn
*/
public IntColumn getEnsembleFileId() {
return delegate.getColumn("ensemble_file_id", DelegatingIntColumn::new);
}
/**
* Additional details regarding the ensemble.
* @return StrColumn
*/
public StrColumn getDetails() {
return delegate.getColumn("details", DelegatingStrColumn::new);
}
/**
* Indicate if the ensemble consists of sub samples.
* @return StrColumn
*/
public StrColumn getSubSampleFlag() {
return delegate.getColumn("sub_sample_flag", DelegatingStrColumn::new);
}
/**
* Indicate the sub sampling type, if applicable.
* @return StrColumn
*/
public StrColumn getSubSamplingType() {
return delegate.getColumn("sub_sampling_type", DelegatingStrColumn::new);
}
}