|
@@ -11,6 +11,8 @@ import { CustomStructureProperty } from '../common/custom-structure-property';
|
|
|
import { CustomProperty } from '../common/custom-property';
|
|
|
import { CustomPropertyDescriptor } from '../../mol-model/custom-property';
|
|
|
import { ANVILParams, Membrane } from './membrane/ANVIL';
|
|
|
+import { strict } from 'assert';
|
|
|
+import { AccessibleSurfaceAreaProvider } from './accessible-surface-area';
|
|
|
|
|
|
export const MembraneParams = {
|
|
|
...ANVILParams
|
|
@@ -31,6 +33,7 @@ export const MembraneProvider: CustomStructureProperty.Provider<MembraneParams,
|
|
|
// TODO needs ASA to be computed (or 'resolved' before trying computing topology) - how to achieve?
|
|
|
// TODO potentially, this could behave like secondary structure info where data can be either parsed or computed
|
|
|
obtain: async (ctx: CustomProperty.Context, data: Structure, props: Partial<MembraneProps>) => {
|
|
|
+ await AccessibleSurfaceAreaProvider.attach(ctx, data);
|
|
|
const p = { ...PD.getDefaultValues(MembraneParams), ...props };
|
|
|
return { value: await Membrane.compute(data, p).runInContext(ctx.runtime) };
|
|
|
}
|