Molecule

Source

index.js
import macro from 'vtk.js/Sources/macro';

// ----------------------------------------------------------------------------

const MOLECULE_FIELDS = [
'chemical json',
'name',
'inchi',
'formula',
'atoms',
'bonds',
'properties',
];

// ----------------------------------------------------------------------------
// vtkMolecule methods
// ----------------------------------------------------------------------------

function vtkMolecule(publicAPI, model) {
// Set our className
model.classHierarchy.push('vtkMolecule');
}

// ----------------------------------------------------------------------------
// Object factory
// ----------------------------------------------------------------------------

const DEFAULT_VALUES = {
'chemical json': 0,
name: '',
inchi: '',
formula: '',
atoms: null,
bonds: null,
properties: null,
};

// ----------------------------------------------------------------------------

export function extend(publicAPI, model, initialValues = {}) {
Object.assign(model, DEFAULT_VALUES, initialValues);

// Object methods
macro.obj(publicAPI, model);

if (!model.atoms) {
model.atoms = {};
}
if (!model.bonds) {
model.bonds = {};
}
if (!model.properties) {
model.properties = {};
}

macro.setGet(publicAPI, model, MOLECULE_FIELDS);

// Object specific methods
vtkMolecule(publicAPI, model);
}

// ----------------------------------------------------------------------------

export const newInstance = macro.newInstance(extend, 'vtkMolecule');

// ----------------------------------------------------------------------------

export default { newInstance, extend };