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Commit 1cee84d9 authored by Alexander Rose's avatar Alexander Rose
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fix formating

parent bea5fe54
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with 150 additions and 157 deletions
...@@ -50,13 +50,13 @@ export function buildStaticSuperposition(ctx: PluginContext, src: SuperpositionT ...@@ -50,13 +50,13 @@ export function buildStaticSuperposition(ctx: PluginContext, src: SuperpositionT
export const StaticSuperpositionTestData: SuperpositionTestInput = [ export const StaticSuperpositionTestData: SuperpositionTestInput = [
{ pdbId: '1aj5', auth_asym_id: 'A', matrix: Mat4.identity() }, { pdbId: '1aj5', auth_asym_id: 'A', matrix: Mat4.identity() },
{ pdbId: '1df0', auth_asym_id: 'B', matrix: Mat4.ofRows( { pdbId: '1df0', auth_asym_id: 'B', matrix: Mat4.ofRows([
[[0.406, 0.879, 0.248, -200.633], [0.406, 0.879, 0.248, -200.633],
[0.693, -0.473, 0.544, 73.403], [0.693, -0.473, 0.544, 73.403],
[0.596, -0.049, -0.802, -14.209], [0.596, -0.049, -0.802, -14.209],
[0, 0, 0, 1]] )}, [0, 0, 0, 1]] )},
{ pdbId: '1dvi', auth_asym_id: 'A', matrix: Mat4.ofRows( { pdbId: '1dvi', auth_asym_id: 'A', matrix: Mat4.ofRows([
[[-0.053, -0.077, 0.996, -45.633], [-0.053, -0.077, 0.996, -45.633],
[-0.312, 0.949, 0.057, -12.255], [-0.312, 0.949, 0.057, -12.255],
[-0.949, -0.307, -0.074, 53.562], [-0.949, -0.307, -0.074, 53.562],
[0, 0, 0, 1]] )} [0, 0, 0, 1]] )}
......
...@@ -61,8 +61,7 @@ export function PerforatedBox() { ...@@ -61,8 +61,7 @@ export function PerforatedBox() {
let boxCage: Cage let boxCage: Cage
export function BoxCage() { export function BoxCage() {
if (!boxCage) { if (!boxCage) {
boxCage = createCage( boxCage = createCage([
[
0.5, 0.5, -0.5, // bottom 0.5, 0.5, -0.5, // bottom
-0.5, 0.5, -0.5, -0.5, 0.5, -0.5,
-0.5, -0.5, -0.5, -0.5, -0.5, -0.5,
...@@ -71,13 +70,11 @@ export function BoxCage() { ...@@ -71,13 +70,11 @@ export function BoxCage() {
-0.5, 0.5, 0.5, -0.5, 0.5, 0.5,
-0.5, -0.5, 0.5, -0.5, -0.5, 0.5,
0.5, -0.5, 0.5 0.5, -0.5, 0.5
], ], [
[
0, 4, 1, 5, 2, 6, 3, 7, // sides 0, 4, 1, 5, 2, 6, 3, 7, // sides
0, 1, 1, 2, 2, 3, 3, 0, // bottom base 0, 1, 1, 2, 2, 3, 3, 0, // bottom base
4, 5, 5, 6, 6, 7, 7, 4 // top base 4, 5, 5, 6, 6, 7, 7, 4 // top base
] ])
)
} }
return boxCage return boxCage
} }
\ No newline at end of file
...@@ -78,8 +78,7 @@ function addUnitHydrogenDonors(structure: Structure, unit: Unit.Atomic, builder: ...@@ -78,8 +78,7 @@ function addUnitHydrogenDonors(structure: Structure, unit: Unit.Atomic, builder:
) || ( ) || (
totalH[i] > 0 && totalH[i] > 0 &&
(element === Elements.N || element === Elements.O || element === Elements.S) (element === Elements.N || element === Elements.O || element === Elements.S)
) )) {
) {
builder.add(FeatureType.HydrogenDonor, FeatureGroup.None, x[elements[i]], y[elements[i]], z[elements[i]], i) builder.add(FeatureType.HydrogenDonor, FeatureGroup.None, x[elements[i]], y[elements[i]], z[elements[i]], i)
} }
} }
......
...@@ -17,19 +17,19 @@ export namespace AssemblySymmetry { ...@@ -17,19 +17,19 @@ export namespace AssemblySymmetry {
}; };
export type Query = { export type Query = {
__typename?: "Query"; __typename?: 'Query';
entry: Maybe<Entry>; entry: Maybe<Entry>;
}; };
export type Entry = { export type Entry = {
__typename?: "CoreEntry"; __typename?: 'CoreEntry';
assemblies: Maybe<(Maybe<Assemblies>)[]>; assemblies: Maybe<(Maybe<Assemblies>)[]>;
}; };
export type Assemblies = { export type Assemblies = {
__typename?: "CoreAssembly"; __typename?: 'CoreAssembly';
pdbx_struct_assembly: Maybe<PdbxStructAssembly>; pdbx_struct_assembly: Maybe<PdbxStructAssembly>;
...@@ -37,13 +37,13 @@ export namespace AssemblySymmetry { ...@@ -37,13 +37,13 @@ export namespace AssemblySymmetry {
}; };
export type PdbxStructAssembly = { export type PdbxStructAssembly = {
__typename?: "PdbxStructAssembly"; __typename?: 'PdbxStructAssembly';
id: string; id: string;
}; };
export type RcsbStructSymmetry = { export type RcsbStructSymmetry = {
__typename?: "RcsbStructSymmetry"; __typename?: 'RcsbStructSymmetry';
clusters: (Maybe<Clusters>)[]; clusters: (Maybe<Clusters>)[];
...@@ -61,7 +61,7 @@ export namespace AssemblySymmetry { ...@@ -61,7 +61,7 @@ export namespace AssemblySymmetry {
}; };
export type Clusters = { export type Clusters = {
__typename?: "RcsbStructSymmetryClusters"; __typename?: 'RcsbStructSymmetryClusters';
avg_rmsd: Maybe<number>; avg_rmsd: Maybe<number>;
...@@ -69,7 +69,7 @@ export namespace AssemblySymmetry { ...@@ -69,7 +69,7 @@ export namespace AssemblySymmetry {
}; };
export type Members = { export type Members = {
__typename?: "ClustersMembers"; __typename?: 'ClustersMembers';
asym_id: string; asym_id: string;
...@@ -77,7 +77,7 @@ export namespace AssemblySymmetry { ...@@ -77,7 +77,7 @@ export namespace AssemblySymmetry {
}; };
export type RotationAxes = { export type RotationAxes = {
__typename?: "RcsbStructSymmetryRotationAxes"; __typename?: 'RcsbStructSymmetryRotationAxes';
start: (Maybe<number>)[]; start: (Maybe<number>)[];
......
...@@ -24,10 +24,7 @@ export interface Entities { ...@@ -24,10 +24,7 @@ export interface Entities {
export type ChemicalComponent = Table.Row<mmCIF_Schema['chem_comp']> export type ChemicalComponent = Table.Row<mmCIF_Schema['chem_comp']>
export type ChemicalComponentMap = ReadonlyMap<string, ChemicalComponent> export type ChemicalComponentMap = ReadonlyMap<string, ChemicalComponent>
export type MissingResidue = Table.Row<Pick< export type MissingResidue = Table.Row<Pick<mmCIF_Schema['pdbx_unobs_or_zero_occ_residues'], 'polymer_flag' | 'occupancy_flag'>>
mmCIF_Schema['pdbx_unobs_or_zero_occ_residues'],
'polymer_flag' | 'occupancy_flag'
>>
export interface MissingResidues { export interface MissingResidues {
has(model_num: number, asym_id: string, seq_id: number): boolean has(model_num: number, asym_id: string, seq_id: number): boolean
get(model_num: number, asym_id: string, seq_id: number): MissingResidue | undefined get(model_num: number, asym_id: string, seq_id: number): MissingResidue | undefined
......
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