molstar
Version:
A comprehensive macromolecular library.
34 lines (33 loc) • 1.39 kB
TypeScript
/**
* Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Fred Ludlow <fred.ludlow@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*
* ported from NGL (https://github.com/arose/ngl), licensed under MIT
*/
import { ParamDefinition as PD } from '../../mol-util/param-definition.js';
import { RuntimeContext } from '../../mol-task/index.js';
import { PositionData } from './common.js';
import { Boundary } from './boundary.js';
import { Box3D } from './primitives/box3d.js';
import { Tensor } from '../linear-algebra/tensor.js';
import { Mat4 } from '../linear-algebra/3d/mat4.js';
export declare const MolecularSurfaceCalculationParams: {
probeRadius: PD.Numeric;
resolution: PD.Numeric;
probePositions: PD.Numeric;
};
export declare const DefaultMolecularSurfaceCalculationProps: PD.Values<{
probeRadius: PD.Numeric;
resolution: PD.Numeric;
probePositions: PD.Numeric;
}>;
export type MolecularSurfaceCalculationProps = typeof DefaultMolecularSurfaceCalculationProps;
export declare function calcMolecularSurface(ctx: RuntimeContext, position: Required<PositionData>, boundary: Boundary, maxRadius: number, box: Box3D | null, props: MolecularSurfaceCalculationProps): Promise<{
field: Tensor;
idField: Tensor;
transform: Mat4;
resolution: number;
maxRadius: number;
}>;