org.rcsb.cif.schema.mm.RefineLsRestr 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 REFINE_LS_RESTR category record details about
* the restraints applied to various classes of parameters during
* the least-squares refinement.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class RefineLsRestr extends DelegatingCategory {
public RefineLsRestr(Category delegate) {
super(delegate);
}
@Override
protected Column createDelegate(String columnName, Column column) {
switch (columnName) {
case "pdbx_refine_id":
return getPdbxRefineId();
case "criterion":
return getCriterion();
case "dev_ideal":
return getDevIdeal();
case "dev_ideal_target":
return getDevIdealTarget();
case "number":
return getNumber();
case "rejects":
return getRejects();
case "type":
return getType();
case "weight":
return getWeight();
case "pdbx_restraint_function":
return getPdbxRestraintFunction();
default:
return new DelegatingColumn(column);
}
}
/**
* This data item uniquely identifies a refinement within an entry.
* _refine_ls_restr.pdbx_refine_id can be used to distinguish the results
* of joint refinements.
* @return StrColumn
*/
public StrColumn getPdbxRefineId() {
return delegate.getColumn("pdbx_refine_id", DelegatingStrColumn::new);
}
/**
* A criterion used to define a parameter value that deviates
* significantly from its ideal value in the model obtained by
* restrained least-squares refinement.
* @return StrColumn
*/
public StrColumn getCriterion() {
return delegate.getColumn("criterion", DelegatingStrColumn::new);
}
/**
* For the given parameter type, the root-mean-square deviation
* between the ideal values used as restraints in the least-squares
* refinement and the values obtained by refinement. For instance,
* bond distances may deviate by 0.018 \%A (r.m.s.) from ideal
* values in the current model.
* @return FloatColumn
*/
public FloatColumn getDevIdeal() {
return delegate.getColumn("dev_ideal", DelegatingFloatColumn::new);
}
/**
* For the given parameter type, the target root-mean-square
* deviation between the ideal values used as restraints in the
* least-squares refinement and the values obtained by refinement.
* @return FloatColumn
*/
public FloatColumn getDevIdealTarget() {
return delegate.getColumn("dev_ideal_target", DelegatingFloatColumn::new);
}
/**
* The number of parameters of this type subjected to restraint in
* least-squares refinement.
* @return IntColumn
*/
public IntColumn getNumber() {
return delegate.getColumn("number", DelegatingIntColumn::new);
}
/**
* The number of parameters of this type that deviate from ideal
* values by more than the amount defined in
* _refine_ls_restr.criterion in the model obtained by restrained
* least-squares refinement.
* @return IntColumn
*/
public IntColumn getRejects() {
return delegate.getColumn("rejects", DelegatingIntColumn::new);
}
/**
* The type of the parameter being restrained.
* Explicit sets of data values are provided for the programs
* PROTIN/PROLSQ (beginning with p_) and RESTRAIN (beginning with
* RESTRAIN_). As computer programs change, these data values
* are given as examples, not as an enumeration list. Computer
* programs that convert a data block to a refinement table will
* expect the exact form of the data values given here to be used.
* @return StrColumn
*/
public StrColumn getType() {
return delegate.getColumn("type", DelegatingStrColumn::new);
}
/**
* The weighting value applied to this type of restraint in
* the least-squares refinement.
* @return FloatColumn
*/
public FloatColumn getWeight() {
return delegate.getColumn("weight", DelegatingFloatColumn::new);
}
/**
* The functional form of the restraint function used in the least-squares
* refinement.
* @return StrColumn
*/
public StrColumn getPdbxRestraintFunction() {
return delegate.getColumn("pdbx_restraint_function", DelegatingStrColumn::new);
}
}