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/**
* Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import { Unit, Structure } from 'mol-model/structure';
import { UnitsVisual } from '../representation';
import { VisualUpdateState } from '../../util';
import { UnitsMeshVisual, UnitsMeshParams, UnitsTextureMeshParams } from '../units-visual';
import { StructureElementIterator, getElementLoci, eachElement } from './util/element';
import { ParamDefinition as PD } from 'mol-util/param-definition';
import { Mesh } from 'mol-geo/geometry/mesh/mesh';
import { computeMarchingCubesMesh } from 'mol-geo/util/marching-cubes/algorithm';
import { VisualContext } from 'mol-repr/visual';
import { Theme } from 'mol-theme/theme';
import { MolecularSurfaceCalculationParams, MolecularSurfaceCalculationProps, computeUnitMolecularSurface } from './util/molecular-surface';
export const MolecularSurfaceMeshParams = {
...UnitsMeshParams,
...UnitsTextureMeshParams,
...MolecularSurfaceCalculationParams,
}
export type MolecularSurfaceMeshParams = typeof MolecularSurfaceMeshParams
//
async function createMolecularSurfaceMesh(ctx: VisualContext, unit: Unit, structure: Structure, theme: Theme, props: MolecularSurfaceCalculationProps, mesh?: Mesh): Promise<Mesh> {
const { transform, field, idField } = await computeUnitMolecularSurface(unit, props).runInContext(ctx.runtime)
const params = {
isoLevel: 1,
scalarField: field,
idField
}
const surface = await computeMarchingCubesMesh(params, mesh).runAsChild(ctx.runtime)
Mesh.transformImmediate(surface, transform)
Mesh.computeNormalsImmediate(surface)
Mesh.uniformTriangleGroup(surface)
return surface
}
export function MolecularSurfaceMeshVisual(materialId: number): UnitsVisual<MolecularSurfaceMeshParams> {
return UnitsMeshVisual<MolecularSurfaceMeshParams>({
defaultProps: PD.getDefaultValues(MolecularSurfaceMeshParams),
createGeometry: createMolecularSurfaceMesh,
createLocationIterator: StructureElementIterator.fromGroup,
getLoci: getElementLoci,
eachLocation: eachElement,
setUpdateState: (state: VisualUpdateState, newProps: PD.Values<MolecularSurfaceMeshParams>, currentProps: PD.Values<MolecularSurfaceMeshParams>) => {
if (newProps.resolution !== currentProps.resolution) state.createGeometry = true
if (newProps.probeRadius !== currentProps.probeRadius) state.createGeometry = true
}
}, materialId)
}