From 6ae9ad9d813c1acbe015fb76605d5b0635d9ef88 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Michal=20Mal=C3=BD?= <michal.maly@ibt.cas.cz>
Date: Mon, 10 Oct 2022 12:12:33 +0200
Subject: [PATCH] ReDNATCO plugin stage 20
---
src/apps/rednatco/api.ts | 6 +++---
src/apps/rednatco/filtering.ts | 30 ++++--------------------------
src/apps/rednatco/filters.ts | 24 ++++++++++++++++++++++++
src/apps/rednatco/viewer.ts | 7 ++++---
4 files changed, 35 insertions(+), 32 deletions(-)
create mode 100644 src/apps/rednatco/filters.ts
diff --git a/src/apps/rednatco/api.ts b/src/apps/rednatco/api.ts
index e6143205e..fce225760 100644
--- a/src/apps/rednatco/api.ts
+++ b/src/apps/rednatco/api.ts
@@ -1,4 +1,4 @@
-import { Filtering } from './filtering';
+import { Filters } from './filters';
export namespace ReDNATCOMspApi {
export namespace Commands {
@@ -9,8 +9,8 @@ export namespace ReDNATCOMspApi {
return { type: 'deselect-step' };
}
- export type Filter = { type: 'filter', filter: Filtering.Filter };
- export function Filter(filter: Filtering.Filter) {
+ export type Filter = { type: 'filter', filter: Filters.All };
+ export function Filter(filter: Filters.All) {
return { type: 'filter', filter };
}
diff --git a/src/apps/rednatco/filtering.ts b/src/apps/rednatco/filtering.ts
index 141e30efa..5857e05b2 100644
--- a/src/apps/rednatco/filtering.ts
+++ b/src/apps/rednatco/filtering.ts
@@ -1,36 +1,14 @@
+import { Filters } from './filters';
import { Expression } from '../../mol-script/language/expression';
import { MolScriptBuilder as MSB } from '../../mol-script/language/builder';
import { formatMolScript } from '../../mol-script/language/expression-formatter';
export namespace Filtering {
- export type FilterKind = 'empty'|'slices';
-
- export type EmptyFilter = {
- kind: 'empty',
- };
- export function EmptyFilter(): EmptyFilter {
- return { kind: 'empty' };
- }
-
- export type SlicesFilter = {
- kind: 'slices',
- slices: {
- chain: string;
- residues?: number[];
- altIds?: string[];
- }[];
- };
- export function SlicesFilter(slices: SlicesFilter['slices']): SlicesFilter {
- return { kind: 'slices', slices };
- }
-
- export type Filter = EmptyFilter|SlicesFilter;
-
function empty() {
return MSB.struct.generator.all();
}
- function sliceExpr(slice: SlicesFilter['slices'][0]) {
+ function sliceExpr(slice: Filters.Slices['slices'][0]) {
let expr = MSB.core.rel.eq([MSB.struct.atomProperty.macromolecular.label_asym_id(), slice.chain]);
if (slice.residues && slice.residues.length > 0) {
@@ -59,7 +37,7 @@ export namespace Filtering {
return expr;
}
- function slices(slices: SlicesFilter['slices']) {
+ function slices(slices: Filters.Slices['slices']) {
if (slices.length > 0) {
let expr = sliceExpr(slices[0]);
@@ -78,7 +56,7 @@ export namespace Filtering {
return MSB.struct.generator.all();
}
- export function toExpression(filter: Filter): Expression {
+ export function toExpression(filter: Filters.All): Expression {
switch (filter.kind) {
case 'empty':
return empty();
diff --git a/src/apps/rednatco/filters.ts b/src/apps/rednatco/filters.ts
new file mode 100644
index 000000000..a108881d4
--- /dev/null
+++ b/src/apps/rednatco/filters.ts
@@ -0,0 +1,24 @@
+export namespace Filters {
+ export type Kind = 'empty'|'slices';
+
+ export type Empty = {
+ kind: 'empty',
+ };
+ export function Empty(): Empty {
+ return { kind: 'empty' };
+ }
+
+ export type Slices = {
+ kind: 'slices',
+ slices: {
+ chain: string;
+ residues?: number[];
+ altIds?: string[];
+ }[];
+ };
+ export function Slices(slices: Slices['slices']): Slices {
+ return { kind: 'slices', slices };
+ }
+
+ export type All = Empty|Slices;
+}
diff --git a/src/apps/rednatco/viewer.ts b/src/apps/rednatco/viewer.ts
index 63aaf14bc..f7cf4ec37 100644
--- a/src/apps/rednatco/viewer.ts
+++ b/src/apps/rednatco/viewer.ts
@@ -2,6 +2,7 @@ import * as IDs from './idents';
import * as RefCfmr from './reference-conformers';
import { ReDNATCOMsp, Display, VisualRepresentations } from './index';
import { NtCColors } from './colors';
+import { Filters } from './filters';
import { Filtering } from './filtering';
import { ReferenceConformersPdbs } from './reference-conformers-pdbs';
import { Step } from './step';
@@ -857,7 +858,7 @@ export class ReDNATCOMspViewer {
b2.to(IDs.ID('entire-structure', 'nucleic', BaseRef))
.apply(
StateTransforms.Model.StructureSelectionFromExpression,
- { expression: Filtering.toExpression(Filtering.EmptyFilter()) },
+ { expression: Filtering.toExpression(Filters.Empty()) },
{ ref: IDs.ID('structure', 'nucleic', BaseRef) }
);
}
@@ -865,7 +866,7 @@ export class ReDNATCOMspViewer {
b2.to(IDs.ID('entire-structure', 'protein', BaseRef))
.apply(
StateTransforms.Model.StructureSelectionFromExpression,
- { expression: Filtering.toExpression(Filtering.EmptyFilter()) },
+ { expression: Filtering.toExpression(Filters.Empty()) },
{ ref: IDs.ID('structure', 'protein', BaseRef) }
);
}
@@ -873,7 +874,7 @@ export class ReDNATCOMspViewer {
b2.to(IDs.ID('entire-structure', 'water', BaseRef))
.apply(
StateTransforms.Model.StructureSelectionFromExpression,
- { expression: Filtering.toExpression(Filtering.EmptyFilter()) },
+ { expression: Filtering.toExpression(Filters.Empty()) },
{ ref: IDs.ID('structure', 'water', BaseRef) }
);
}
--
GitLab