From 3cba621fcf54cacc0abb3d15e9cc97e9f707e753 Mon Sep 17 00:00:00 2001
From: Alexander Rose <alexander.rose@weirdbyte.de>
Date: Sat, 13 May 2023 16:22:50 -0700
Subject: [PATCH] add cantor-pairing functions to mol-script
---
CHANGELOG.md | 1 +
src/mol-script/language/symbol-table/core.ts | 8 ++++----
src/mol-script/runtime/query/table.ts | 6 +++++-
src/mol-script/script/mol-script/symbols.ts | 3 +++
4 files changed, 13 insertions(+), 5 deletions(-)
diff --git a/CHANGELOG.md b/CHANGELOG.md
index 4e8354d4c..5d2891175 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -23,6 +23,7 @@ Note that since we don't clearly distinguish between a public and private interf
- Support `ignoreHydrogens` in interactions representation
- Add hydroxyproline (HYP) commonly present in collagen molecules to the list of amino acids
- Fix assemblies for Archive PDB files (do not generate unique `label_asym_id` if `REMARK 350` is present)
+- Add cantor-pairing functions to `mol-script`
## [v3.34.0] - 2023-04-16
diff --git a/src/mol-script/language/symbol-table/core.ts b/src/mol-script/language/symbol-table/core.ts
index 4661b69bc..6692c5d5e 100644
--- a/src/mol-script/language/symbol-table/core.ts
+++ b/src/mol-script/language/symbol-table/core.ts
@@ -46,10 +46,6 @@ export const TTargs = Arguments.Dictionary({
1: Argument(Type.Num)
});
-const XX = { test: Argument(Type.Str) };
-const t: Arguments.PropTypes<typeof XX> = 0 as any;
-t.test;
-
const type = {
'@header': 'Types',
bool: symbol(Arguments.Dictionary({ 0: Argument(Type.AnyValue) }), Type.Bool, 'Convert a value to boolean.'),
@@ -116,6 +112,10 @@ const math = {
min: binOp(Type.Num),
max: binOp(Type.Num),
+ cantorPairing: binRel(Type.Num, Type.Num),
+ sortedCantorPairing: binRel(Type.Num, Type.Num),
+ invertCantorPairing: symbol(Arguments.Dictionary({ 0: Argument(Type.Num) }), Types.List(Type.Num)),
+
floor: unaryOp(Type.Num),
ceil: unaryOp(Type.Num),
roundInt: unaryOp(Type.Num),
diff --git a/src/mol-script/runtime/query/table.ts b/src/mol-script/runtime/query/table.ts
index a87b23c7e..eee428041 100644
--- a/src/mol-script/runtime/query/table.ts
+++ b/src/mol-script/runtime/query/table.ts
@@ -12,7 +12,7 @@ import { ElementSymbol, BondType, SecondaryStructureType } from '../../../mol-mo
import { SetUtils } from '../../../mol-util/set';
import { upperCaseAny } from '../../../mol-util/string';
import { VdwRadius, AtomWeight, AtomNumber } from '../../../mol-model/structure/model/properties/atomic';
-import { cantorPairing } from '../../../mol-data/util';
+import { cantorPairing, invertCantorPairing, sortedCantorPairing } from '../../../mol-data/util';
import { bundleElementImpl, bundleGenerator } from '../../../mol-model/structure/query/queries/internal';
import { arrayEqual } from '../../../mol-util/array';
@@ -118,6 +118,10 @@ const symbols = [
return ret;
}),
+ C(MolScript.core.math.cantorPairing, (ctx, v) => cantorPairing(v[0](ctx), v[1](ctx))),
+ C(MolScript.core.math.sortedCantorPairing, (ctx, v) => sortedCantorPairing(v[0](ctx), v[1](ctx))),
+ C(MolScript.core.math.invertCantorPairing, (ctx, v) => invertCantorPairing([0, 0], v[0](ctx))),
+
C(MolScript.core.math.floor, (ctx, v) => Math.floor(v[0](ctx))),
C(MolScript.core.math.ceil, (ctx, v) => Math.ceil(v[0](ctx))),
C(MolScript.core.math.roundInt, (ctx, v) => Math.round(v[0](ctx))),
diff --git a/src/mol-script/script/mol-script/symbols.ts b/src/mol-script/script/mol-script/symbols.ts
index feb891928..fa9243edc 100644
--- a/src/mol-script/script/mol-script/symbols.ts
+++ b/src/mol-script/script/mol-script/symbols.ts
@@ -54,6 +54,9 @@ export const SymbolTable = [
Alias(MolScript.core.math.mod, 'mod'),
Alias(MolScript.core.math.min, 'min'),
Alias(MolScript.core.math.max, 'max'),
+ Alias(MolScript.core.math.cantorPairing, 'cantor-pairing'),
+ Alias(MolScript.core.math.sortedCantorPairing, 'sorted-cantor-pairing'),
+ Alias(MolScript.core.math.invertCantorPairing, 'invert-cantor-pairing'),
Alias(MolScript.core.math.floor, 'floor'),
Alias(MolScript.core.math.ceil, 'ceil'),
Alias(MolScript.core.math.roundInt, 'round'),
--
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