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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_HIST category record details about the
* steps during the refinement of the structure.
* These data items are not meant to be as thorough a description
* of the refinement as is provided for the final model in other
* categories; rather, these data items provide a mechanism for
* sketching out the progress of the refinement, supported by a
* small set of representative statistics.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class RefineHist extends DelegatingCategory {
public RefineHist(Category delegate) {
super(delegate);
}
@Override
protected Column createDelegate(String columnName, Column column) {
switch (columnName) {
case "pdbx_refine_id":
return getPdbxRefineId();
case "cycle_id":
return getCycleId();
case "details":
return getDetails();
case "d_res_high":
return getDResHigh();
case "d_res_low":
return getDResLow();
case "number_atoms_solvent":
return getNumberAtomsSolvent();
case "number_atoms_total":
return getNumberAtomsTotal();
case "number_reflns_all":
return getNumberReflnsAll();
case "number_reflns_obs":
return getNumberReflnsObs();
case "number_reflns_R_free":
return getNumberReflnsRFree();
case "number_reflns_R_work":
return getNumberReflnsRWork();
case "R_factor_all":
return getRFactorAll();
case "R_factor_obs":
return getRFactorObs();
case "R_factor_R_free":
return getRFactorRFree();
case "R_factor_R_work":
return getRFactorRWork();
case "pdbx_number_residues_total":
return getPdbxNumberResiduesTotal();
case "pdbx_B_iso_mean_ligand":
return getPdbxBIsoMeanLigand();
case "pdbx_B_iso_mean_solvent":
return getPdbxBIsoMeanSolvent();
case "pdbx_number_atoms_protein":
return getPdbxNumberAtomsProtein();
case "pdbx_number_atoms_nucleic_acid":
return getPdbxNumberAtomsNucleicAcid();
case "pdbx_number_atoms_ligand":
return getPdbxNumberAtomsLigand();
case "pdbx_number_atoms_lipid":
return getPdbxNumberAtomsLipid();
case "pdbx_number_atoms_carb":
return getPdbxNumberAtomsCarb();
case "pdbx_pseudo_atom_details":
return getPdbxPseudoAtomDetails();
case "pdbx_number_atoms_solvent":
return getPdbxNumberAtomsSolvent();
case "pdbx_number_atoms_total":
return getPdbxNumberAtomsTotal();
default:
return new DelegatingColumn(column);
}
}
/**
* This data item uniquely identifies a refinement within an entry.
* _refine_hist.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);
}
/**
* The value of _refine_hist.cycle_id must uniquely identify a
* record in the REFINE_HIST list.
*
* Note that this item need not be a number; it can be any unique
* identifier.
* @return StrColumn
*/
public StrColumn getCycleId() {
return delegate.getColumn("cycle_id", DelegatingStrColumn::new);
}
/**
* A description of special aspects of this cycle of the refinement
* process.
* @return StrColumn
*/
public StrColumn getDetails() {
return delegate.getColumn("details", DelegatingStrColumn::new);
}
/**
* The lowest value for the interplanar spacings for the
* reflection data for this cycle of refinement. This is called
* the highest resolution.
* @return FloatColumn
*/
public FloatColumn getDResHigh() {
return delegate.getColumn("d_res_high", DelegatingFloatColumn::new);
}
/**
* The highest value for the interplanar spacings for the
* reflection data for this cycle of refinement. This is
* called the lowest resolution.
* @return FloatColumn
*/
public FloatColumn getDResLow() {
return delegate.getColumn("d_res_low", DelegatingFloatColumn::new);
}
/**
* The number of solvent atoms that were included in the model at
* this cycle of the refinement.
* @return IntColumn
*/
public IntColumn getNumberAtomsSolvent() {
return delegate.getColumn("number_atoms_solvent", DelegatingIntColumn::new);
}
/**
* The total number of atoms that were included in the model at
* this cycle of the refinement.
* @return IntColumn
*/
public IntColumn getNumberAtomsTotal() {
return delegate.getColumn("number_atoms_total", DelegatingIntColumn::new);
}
/**
* The number of reflections that satisfy the resolution limits
* established by _refine_hist.d_res_high and
* _refine_hist.d_res_low.
* @return IntColumn
*/
public IntColumn getNumberReflnsAll() {
return delegate.getColumn("number_reflns_all", DelegatingIntColumn::new);
}
/**
* The number of reflections that satisfy the resolution limits
* established by _refine_hist.d_res_high and
* _refine_hist.d_res_low and the observation criterion
* established by _reflns.observed_criterion.
* @return IntColumn
*/
public IntColumn getNumberReflnsObs() {
return delegate.getColumn("number_reflns_obs", DelegatingIntColumn::new);
}
/**
* The number of reflections that satisfy the resolution limits
* established by _refine_hist.d_res_high and
* _refine_hist.d_res_low and the observation limit
* established by _reflns.observed_criterion, and that were used
* as the test reflections (i.e. were excluded from the refinement)
* when the refinement included the calculation of a 'free'
* R factor. Details of how reflections were assigned to the
* working and test sets are given in _reflns.R_free_details.
* @return IntColumn
*/
public IntColumn getNumberReflnsRFree() {
return delegate.getColumn("number_reflns_R_free", DelegatingIntColumn::new);
}
/**
* The number of reflections that satisfy the resolution limits
* established by _refine_hist.d_res_high and
* _refine_hist.d_res_low and the observation limit
* established by _reflns.observed_criterion, and that were used
* as the working reflections (i.e. were included in the
* refinement) when the refinement included the calculation
* of a 'free' R factor. Details of how reflections were
* assigned to the working and test sets are given in
* _reflns.R_free_details.
* @return IntColumn
*/
public IntColumn getNumberReflnsRWork() {
return delegate.getColumn("number_reflns_R_work", DelegatingIntColumn::new);
}
/**
* Residual factor R for reflections that satisfy the resolution
* limits established by _refine_hist.d_res_high and
* _refine_hist.d_res_low.
*
* sum|F~obs~ - F~calc~|
* R = ---------------------
* sum|F~obs~|
*
* F~obs~ = the observed structure-factor amplitudes
* F~calc~ = the calculated structure-factor amplitudes
*
* sum is taken over the specified reflections
* @return FloatColumn
*/
public FloatColumn getRFactorAll() {
return delegate.getColumn("R_factor_all", DelegatingFloatColumn::new);
}
/**
* Residual factor R for reflections that satisfy the resolution
* limits established by _refine_hist.d_res_high and
* _refine_hist.d_res_low and the observation criterion
* established by _reflns.observed_criterion.
*
* sum|F~obs~ - F~calc~|
* R = ---------------------
* sum|F~obs~|
*
* F~obs~ = the observed structure-factor amplitudes
* F~calc~ = the calculated structure-factor amplitudes
*
* sum is taken over the specified reflections
* @return FloatColumn
*/
public FloatColumn getRFactorObs() {
return delegate.getColumn("R_factor_obs", DelegatingFloatColumn::new);
}
/**
* Residual factor R for reflections that satisfy the resolution
* limits established by _refine_hist.d_res_high and
* _refine_hist.d_res_low and the observation limit
* established by _reflns.observed_criterion, and that were used
* as the test reflections (i.e. were excluded from the refinement)
* when the refinement included the calculation of a 'free'
* R factor. Details of how reflections were assigned to the
* working and test sets are given in _reflns.R_free_details.
*
* sum|F~obs~ - F~calc~|
* R = ---------------------
* sum|F~obs~|
*
* F~obs~ = the observed structure-factor amplitudes
* F~calc~ = the calculated structure-factor amplitudes
*
* sum is taken over the specified reflections
* @return FloatColumn
*/
public FloatColumn getRFactorRFree() {
return delegate.getColumn("R_factor_R_free", DelegatingFloatColumn::new);
}
/**
* Residual factor R for reflections that satisfy the resolution
* limits established by _refine_hist.d_res_high and
* _refine_hist.d_res_low and the observation limit
* established by _reflns.observed_criterion, and that were used
* as the working reflections (i.e. were included in the refinement)
* when the refinement included the calculation of a 'free'
* R factor. Details of how reflections were assigned to the
* working and test sets are given in _reflns.R_free_details.
*
* sum|F~obs~ - F~calc~|
* R = ---------------------
* sum|F~obs~|
*
* F~obs~ = the observed structure-factor amplitudes
* F~calc~ = the calculated structure-factor amplitudes
*
* sum is taken over the specified reflections
* @return FloatColumn
*/
public FloatColumn getRFactorRWork() {
return delegate.getColumn("R_factor_R_work", DelegatingFloatColumn::new);
}
/**
* Total number of polymer residues included in refinement.
* @return IntColumn
*/
public IntColumn getPdbxNumberResiduesTotal() {
return delegate.getColumn("pdbx_number_residues_total", DelegatingIntColumn::new);
}
/**
* Mean isotropic B-value for ligand molecules included in refinement.
* @return FloatColumn
*/
public FloatColumn getPdbxBIsoMeanLigand() {
return delegate.getColumn("pdbx_B_iso_mean_ligand", DelegatingFloatColumn::new);
}
/**
* Mean isotropic B-value for solvent molecules included in refinement.
* @return FloatColumn
*/
public FloatColumn getPdbxBIsoMeanSolvent() {
return delegate.getColumn("pdbx_B_iso_mean_solvent", DelegatingFloatColumn::new);
}
/**
* Number of protein atoms included in refinement
* @return IntColumn
*/
public IntColumn getPdbxNumberAtomsProtein() {
return delegate.getColumn("pdbx_number_atoms_protein", DelegatingIntColumn::new);
}
/**
* Number of nucleic atoms included in refinement
* @return IntColumn
*/
public IntColumn getPdbxNumberAtomsNucleicAcid() {
return delegate.getColumn("pdbx_number_atoms_nucleic_acid", DelegatingIntColumn::new);
}
/**
* Number of ligand atoms included in refinement
* @return IntColumn
*/
public IntColumn getPdbxNumberAtomsLigand() {
return delegate.getColumn("pdbx_number_atoms_ligand", DelegatingIntColumn::new);
}
/**
* Number of lipid atoms included in refinement
* @return IntColumn
*/
public IntColumn getPdbxNumberAtomsLipid() {
return delegate.getColumn("pdbx_number_atoms_lipid", DelegatingIntColumn::new);
}
/**
* Number of carbohydrate atoms included in refinement
* @return IntColumn
*/
public IntColumn getPdbxNumberAtomsCarb() {
return delegate.getColumn("pdbx_number_atoms_carb", DelegatingIntColumn::new);
}
/**
* Details of pseduo atoms used to model unexplained density
* @return StrColumn
*/
public StrColumn getPdbxPseudoAtomDetails() {
return delegate.getColumn("pdbx_pseudo_atom_details", DelegatingStrColumn::new);
}
/**
* Number of solvent atoms used in refinement
* @return IntColumn
*/
public IntColumn getPdbxNumberAtomsSolvent() {
return delegate.getColumn("pdbx_number_atoms_solvent", DelegatingIntColumn::new);
}
/**
* Number of atoms used in refinement
* @return IntColumn
*/
public IntColumn getPdbxNumberAtomsTotal() {
return delegate.getColumn("pdbx_number_atoms_total", DelegatingIntColumn::new);
}
}
