Skip to content
Snippets Groups Projects
Commit 1c51f773 authored by Alexander Rose's avatar Alexander Rose
Browse files

struct_conn tweaks

parent faa8beaa
No related branches found
No related tags found
No related merge requests found
...@@ -138,8 +138,6 @@ export namespace StructConn { ...@@ -138,8 +138,6 @@ export namespace StructConn {
partners: { residueIndex: ResidueIndex, atomIndex: ElementIndex, symmetry: string }[] partners: { residueIndex: ResidueIndex, atomIndex: ElementIndex, symmetry: string }[]
} }
type StructConnType = typeof mmCIF_Schema.struct_conn.conn_type_id.T
export function attachFromMmCif(model: Model): boolean { export function attachFromMmCif(model: Model): boolean {
if (model.customProperties.has(Descriptor)) return true; if (model.customProperties.has(Descriptor)) return true;
if (model.sourceData.kind !== 'mmCIF') return false; if (model.sourceData.kind !== 'mmCIF') return false;
...@@ -213,7 +211,7 @@ export namespace StructConn { ...@@ -213,7 +211,7 @@ export namespace StructConn {
const partners = _ps(i); const partners = _ps(i);
if (partners.length < 2) continue; if (partners.length < 2) continue;
const type = conn_type_id.value(i)! as StructConnType; const type = conn_type_id.value(i) as typeof mmCIF_Schema.struct_conn_type.id.T; // TODO workaround for dictionary inconsistency
const orderType = (pdbx_value_order.value(i) || '').toLowerCase(); const orderType = (pdbx_value_order.value(i) || '').toLowerCase();
let flags = LinkType.Flag.None; let flags = LinkType.Flag.None;
let order = 1; let order = 1;
...@@ -234,7 +232,10 @@ export namespace StructConn { ...@@ -234,7 +232,10 @@ export namespace StructConn {
flags = LinkType.Flag.Covalent; flags = LinkType.Flag.Covalent;
break; break;
case 'disulf': flags = LinkType.Flag.Covalent | LinkType.Flag.Sulfide; break; case 'disulf': flags = LinkType.Flag.Covalent | LinkType.Flag.Sulfide; break;
case 'hydrog': flags = LinkType.Flag.Hydrogen; break; case 'hydrog':
case 'mismat':
flags = LinkType.Flag.Hydrogen;
break;
case 'metalc': flags = LinkType.Flag.MetallicCoordination; break; case 'metalc': flags = LinkType.Flag.MetallicCoordination; break;
case 'saltbr': flags = LinkType.Flag.Ionic; break; case 'saltbr': flags = LinkType.Flag.Ionic; break;
} }
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment