From 52239f71cdcfe0d9d86786dabed142a083cf47f3 Mon Sep 17 00:00:00 2001
From: yakomaxa <47655565+yakomaxa@users.noreply.github.com>
Date: Sat, 13 Aug 2022 11:20:41 +0900
Subject: [PATCH] refined rasmol keywords
---
src/mol-script/transpilers/rasmol/keywords.ts | 17 ++++++++++-------
src/mol-script/transpilers/rasmol/parser.ts | 2 +-
2 files changed, 11 insertions(+), 8 deletions(-)
diff --git a/src/mol-script/transpilers/rasmol/keywords.ts b/src/mol-script/transpilers/rasmol/keywords.ts
index 91c3906e6..f56341c44 100644
--- a/src/mol-script/transpilers/rasmol/keywords.ts
+++ b/src/mol-script/transpilers/rasmol/keywords.ts
@@ -20,18 +20,21 @@ function nucleicExpr() {
return B.struct.combinator.merge([
B.struct.generator.atomGroups({
'residue-test': B.core.set.has([
- B.set(...['G', 'C', 'A', 'T', 'U', 'I', 'DG', 'DC', 'DA', 'DT', 'DU', 'DI', '+G', '+C', '+A', '+T', '+U', '+I']),
+ B.core.type.set(['G', 'C', 'A', 'T', 'U', 'I', 'DG', 'DC', 'DA', 'DT', 'DU', 'DI', '+G', '+C', '+A', '+T', '+U', '+I']),
B.ammp('label_comp_id')
])
}),
B.struct.filter.pick({
- 0: B.struct.generator.atomGroups({
+ 0: B.struct.generator.atomGroups({
'group-by': B.ammp('residueKey')
- }),
- test: B.core.logic.and([
- B.core.rel.eq([B.struct.atomSet.atomCount(), 1]),
- B.core.rel.eq([B.ammp('label_atom_id'), B.atomName('P')]),
- ])
+ }),
+ test: B.core.logic.and([
+ B.core.set.isSubset([
+ // B.core.type.set([ 'P', 'O1P', 'O2P' ]),
+ h.atomNameSet(['P']),
+ B.ammpSet('label_atom_id')
+ ]),
+ ])
}),
B.struct.filter.pick({
0: B.struct.generator.atomGroups({
diff --git a/src/mol-script/transpilers/rasmol/parser.ts b/src/mol-script/transpilers/rasmol/parser.ts
index 58d0bf978..822fcec70 100644
--- a/src/mol-script/transpilers/rasmol/parser.ts
+++ b/src/mol-script/transpilers/rasmol/parser.ts
@@ -125,7 +125,7 @@ const lang = P.MonadicParser.createLanguage({
Expression: function (r: any) {
return P.MonadicParser.alt(
- r.NamedAtomProperties,
+// r.NamedAtomProperties,
r.Keywords,
r.Resno.lookahead(P.MonadicParser.regexp(/\s*(?!(LIKE|>=|<=|!=|[:^%/.=><]))/i)).map((x: any) => B.struct.generator.atomGroups({
'residue-test': B.core.rel.eq([B.ammp('auth_seq_id'), x])
--
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