Molecule

Source

index.js

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

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

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 };