From 93e107f33333f9cba5bbafedf852af3c9137ce19 Mon Sep 17 00:00:00 2001
From: yakomaxa <47655565+yakomaxa@users.noreply.github.com>
Date: Sun, 21 Aug 2022 19:32:45 +0900
Subject: [PATCH] give pymol the ability to deal with negatively indexed
residue numbering
---
.../transpilers/pymol/properties.ts | 56 +++++++++++++++----
1 file changed, 45 insertions(+), 11 deletions(-)
diff --git a/src/mol-script/transpilers/pymol/properties.ts b/src/mol-script/transpilers/pymol/properties.ts
index 106ddf369..66279b481 100644
--- a/src/mol-script/transpilers/pymol/properties.ts
+++ b/src/mol-script/transpilers/pymol/properties.ts
@@ -14,31 +14,65 @@ const reFloat = /[-+]?[0-9]*\.?[0-9]+/;
function atomNameListMap(x: string) { return x.split('+').map(B.atomName); }
function listMap(x: string) { return x.split('+').map(x => x.replace(/^["']|["']$/g, '')); }
-function rangeMap(x: string) {
- const [min, max] = x.split('-').map(x => parseInt(x));
- return { min, max };
-}
+
function listOrRangeMap(x: string) {
+ // cases
if (x.includes('-') && x.includes('+')) {
const pSplit = x.split('+').map(x => x.replace(/^["']|["']$/g, ''));
const res: number[] = [];
pSplit.forEach(x => {
- if (x.includes('-')) {
+ if (x.includes('-') && !x.startsWith("-")) {
const [min, max] = x.split('-').map(x=>parseInt(x));
for (let i = min; i <= max; i++) {
- res.push(i);
+ res.push(i);
}
- } else {
+ }else if (x.includes('-') && x.startsWith("-") && x.match(/[0-9]+-[-0-9]+/)) {
+ const min = -parseInt(x.split('-')[1]);
+ var max ;
+ if (x.includes('--')) {
+ max = -parseInt(x.split('-')[3])
+ }else{
+ max = parseInt(x.split('-')[2])
+ }
+ for (let i = min; i <= max; i++) {
+ res.push(i);
+ }
+ }else if (x.includes('-') && x.startsWith("-") && !x.match(/[0-9]+-[0-9]+/)) {
+ res.push(parseInt(x));
+ }else{
res.push(parseInt(x));
- }
+ }
});
return res;
} else if (x.includes('-') && !x.includes('+')) {
- return rangeMap(x);
+ const res: number[] = [];
+ if (!x.startsWith("-")) {
+ const [min, max] = x.split('-').map(x=>parseInt(x));
+ for (let i = min; i <= max; i++) {
+ res.push(i);
+ }
+ }else if (x.startsWith("-") && x.match(/[0-9]+-[-0-9]+/)) {
+ const min = -parseInt(x.split('-')[1]);
+ console.log(min)
+ var max ;
+ if (x.includes('--')) {
+ max = -parseInt(x.split('-')[3])
+ }else{
+ max = parseInt(x.split('-')[2])
+ }
+ for (let i = min; i <= max; i++) {
+ res.push(i);
+ }
+ }else if (x.startsWith("-") && !x.match(/[0-9]+-[0-9]+/)) {
+ res.push(parseInt(x));
+ }else{
+ res.push(parseInt(x));
+ }
+ return res;
} else if (!x.includes('-') && x.includes('+')) {
- return listMap(x).map(x => parseInt(x));
+ return listMap(x).map(x => parseInt(x));
} else {
- return listMap(x).map(x => parseInt(x));
+ return [parseInt(x)];
}
}
--
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