org.rcsb.cif.schema.mm.ChemCompChir 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 CHEM_COMP_CHIR category provide details about
* the chiral centres in a chemical component. The atoms bonded
* to the chiral atom are specified in the CHEM_COMP_CHIR_ATOM
* category.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class ChemCompChir extends DelegatingCategory {
public ChemCompChir(Category delegate) {
super(delegate);
}
@Override
protected Column createDelegate(String columnName, Column column) {
switch (columnName) {
case "atom_id":
return getAtomId();
case "atom_config":
return getAtomConfig();
case "id":
return getId();
case "comp_id":
return getCompId();
case "number_atoms_all":
return getNumberAtomsAll();
case "number_atoms_nh":
return getNumberAtomsNh();
case "volume_flag":
return getVolumeFlag();
case "volume_three":
return getVolumeThree();
case "volume_three_esd":
return getVolumeThreeEsd();
default:
return new DelegatingColumn(column);
}
}
/**
* The ID of the atom that is a chiral centre.
*
* This data item is a pointer to _chem_comp_atom.atom_id in the
* CHEM_COMP_ATOM category.
* @return StrColumn
*/
public StrColumn getAtomId() {
return delegate.getColumn("atom_id", DelegatingStrColumn::new);
}
/**
* The chiral configuration of the atom that is a chiral centre.
* @return StrColumn
*/
public StrColumn getAtomConfig() {
return delegate.getColumn("atom_config", DelegatingStrColumn::new);
}
/**
* The value of _chem_comp_chir.id must uniquely identify a record
* in the CHEM_COMP_CHIR list.
* @return StrColumn
*/
public StrColumn getId() {
return delegate.getColumn("id", DelegatingStrColumn::new);
}
/**
* This data item is a pointer to _chem_comp.id in the CHEM_COMP
* category.
* @return StrColumn
*/
public StrColumn getCompId() {
return delegate.getColumn("comp_id", DelegatingStrColumn::new);
}
/**
* The total number of atoms bonded to the atom specified by
* _chem_comp_chir.atom_id.
* @return IntColumn
*/
public IntColumn getNumberAtomsAll() {
return delegate.getColumn("number_atoms_all", DelegatingIntColumn::new);
}
/**
* The number of non-hydrogen atoms bonded to the atom specified by
* _chem_comp_chir.atom_id.
* @return IntColumn
*/
public IntColumn getNumberAtomsNh() {
return delegate.getColumn("number_atoms_nh", DelegatingIntColumn::new);
}
/**
* A flag to indicate whether a chiral volume should match the
* standard value in both magnitude and sign, or in magnitude only.
* @return StrColumn
*/
public StrColumn getVolumeFlag() {
return delegate.getColumn("volume_flag", DelegatingStrColumn::new);
}
/**
* The chiral volume, V~c~, for chiral centres that involve a chiral
* atom bonded to three non-hydrogen atoms and one hydrogen atom.
*
* V~c~ = V1 * (V2 X V3)
*
* V1 = the vector distance from the atom specified by
* _chem_comp_chir.atom_id to the first atom in the
* CHEM_COMP_CHIR_ATOM list
* V2 = the vector distance from the atom specified by
* _chem_comp_chir.atom_id to the second atom in the
* CHEM_COMP_CHIR_ATOM list
* V3 = the vector distance from the atom specified by
* _chem_comp_chir.atom_id to the third atom in the
* CHEM_COMP_CHIR_ATOM list
* * = the vector dot product
* X = the vector cross product
* @return FloatColumn
*/
public FloatColumn getVolumeThree() {
return delegate.getColumn("volume_three", DelegatingFloatColumn::new);
}
/**
* The standard uncertainty (estimated standard deviation)
* of _chem_comp_chir.volume_three.
* @return FloatColumn
*/
public FloatColumn getVolumeThreeEsd() {
return delegate.getColumn("volume_three_esd", DelegatingFloatColumn::new);
}
}