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Commit 52239f71 authored by yakomaxa's avatar yakomaxa
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refined rasmol keywords

parent d9265af2
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...@@ -20,7 +20,7 @@ function nucleicExpr() { ...@@ -20,7 +20,7 @@ function nucleicExpr() {
return B.struct.combinator.merge([ return B.struct.combinator.merge([
B.struct.generator.atomGroups({ B.struct.generator.atomGroups({
'residue-test': B.core.set.has([ '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.ammp('label_comp_id')
]) ])
}), }),
...@@ -29,8 +29,11 @@ function nucleicExpr() { ...@@ -29,8 +29,11 @@ function nucleicExpr() {
'group-by': B.ammp('residueKey') 'group-by': B.ammp('residueKey')
}), }),
test: B.core.logic.and([ test: B.core.logic.and([
B.core.rel.eq([B.struct.atomSet.atomCount(), 1]), B.core.set.isSubset([
B.core.rel.eq([B.ammp('label_atom_id'), B.atomName('P')]), // B.core.type.set([ 'P', 'O1P', 'O2P' ]),
h.atomNameSet(['P']),
B.ammpSet('label_atom_id')
]),
]) ])
}), }),
B.struct.filter.pick({ B.struct.filter.pick({
......
...@@ -125,7 +125,7 @@ const lang = P.MonadicParser.createLanguage({ ...@@ -125,7 +125,7 @@ const lang = P.MonadicParser.createLanguage({
Expression: function (r: any) { Expression: function (r: any) {
return P.MonadicParser.alt( return P.MonadicParser.alt(
r.NamedAtomProperties, // r.NamedAtomProperties,
r.Keywords, r.Keywords,
r.Resno.lookahead(P.MonadicParser.regexp(/\s*(?!(LIKE|>=|<=|!=|[:^%/.=><]))/i)).map((x: any) => B.struct.generator.atomGroups({ 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]) 'residue-test': B.core.rel.eq([B.ammp('auth_seq_id'), x])
......
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