bravais 0.1.4 → 0.2.0

package/dist/types/render/model.d.ts

@@ -22,3 +22,12 @@ export declare function cellCenter(cell: Mat3): Vec3;
  * bounds and the span.
  */
 export declare function createSceneModel(layers: SceneLayer[]): SceneModel;
+/**
+ * A placeholder atom, bond and cell frame in every material a structure is
+ * drawn with, opaque and see-through, so their shaders can compile before
+ * the first structure arrives. It gives no element a colour.
+ */
+export declare function createShaderWarmup(): {
+    group: Group;
+    dispose(): void;
+};

package/dist/types/render/viewer.d.ts

@@ -22,7 +22,7 @@ export interface Viewer {
     resetView(): void;
     /** Fit the canvas to the container again; the viewer does this itself when the container resizes. */
     resize(): void;
-    /** Draw a frame now. */
+    /** Draw a frame now, or as soon as the shaders finish compiling. */
     render(): void;
     /** Call `listener` when the user rotates or zooms. Returns a function that removes it. */
     onInteraction(listener: () => void): () => void;
@@ -32,6 +32,8 @@ export interface Viewer {
 /**
  * Create a viewer inside `container`. It fills the container and follows
  * its size, so give the container a height. Adds the class `bravais-viewer`
- * to the container and one small stylesheet to the page.
+ * to the container and one small stylesheet to the page. Its shaders start
+ * compiling in the background at once, and drawing waits until they are
+ * ready.
  */
 export declare function createViewer(container: HTMLElement, options?: ViewerOptions): Viewer;

package/examples/CoO.cif

@@ -0,0 +1,254 @@
+#------------------------------------------------------------------------------
+#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
+#$Revision: 291735 $
+#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/9/00/86/9008618.cif $
+#------------------------------------------------------------------------------
+#
+# This file is available in the Crystallography Open Database (COD),
+# http://www.crystallography.net/. The original data for this entry
+# were provided the American Mineralogist Crystal Structure Database,
+# http://rruff.geo.arizona.edu/AMS/amcsd.php
+#
+# The file may be used within the scientific community so long as
+# proper attribution is given to the journal article from which the
+# data were obtained.
+#
+data_9008618
+loop_
+_publ_author_name
+'Wyckoff, R. W. G.'
+_publ_section_title
+;
+ Second edition. Interscience Publishers, New York, New York
+ rocksalt structure
+;
+_journal_name_full               'Crystal Structures'
+_journal_page_first              85
+_journal_page_last               237
+_journal_volume                  1
+_journal_year                    1963
+_chemical_formula_structural     CoO
+_chemical_formula_sum            'Co O'
+_space_group_IT_number           225
+_symmetry_space_group_name_Hall  '-F 4 2 3'
+_symmetry_space_group_name_H-M   'F m -3 m'
+_cell_angle_alpha                90
+_cell_angle_beta                 90
+_cell_angle_gamma                90
+_cell_length_a                   4.2667
+_cell_length_b                   4.2667
+_cell_length_c                   4.2667
+_cell_formula_units_Z            4
+_cell_volume                     77.674
+_database_code_amcsd             0011296
+_exptl_crystal_density_diffrn    6.408
+_cod_original_sg_symbol_H-M      'F m 3 m'
+_cod_database_code               9008618
+_amcsd_formula_title             CoO
+loop_
+_space_group_symop_operation_xyz
+x,y,z
+x,1/2+y,1/2+z
+1/2+x,y,1/2+z
+1/2+x,1/2+y,z
+z,-x,y
+z,1/2-x,1/2+y
+1/2+z,-x,1/2+y
+1/2+z,1/2-x,y
+-y,z,-x
+-y,1/2+z,1/2-x
+1/2-y,z,1/2-x
+1/2-y,1/2+z,-x
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+x,1/2-y,1/2+z
+1/2+x,-y,1/2+z
+1/2+x,1/2-y,z
+-z,x,-y
+-z,1/2+x,1/2-y
+1/2-z,x,1/2-y
+1/2-z,1/2+x,-y
+y,-z,x
+y,1/2-z,1/2+x
+1/2+y,-z,1/2+x
+1/2+y,1/2-z,x
+-x,y,-z
+-x,1/2+y,1/2-z
+1/2-x,y,1/2-z
+1/2-x,1/2+y,-z
+x,-z,-y
+x,1/2-z,1/2-y
+1/2+x,-z,1/2-y
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+-z,y,x
+-z,1/2+y,1/2+x
+1/2-z,y,1/2+x
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+y,-x,-z
+y,1/2-x,1/2-z
+1/2+y,-x,1/2-z
+1/2+y,1/2-x,-z
+-x,z,y
+-x,1/2+z,1/2+y
+1/2-x,z,1/2+y
+1/2-x,1/2+z,y
+z,-y,-x
+z,1/2-y,1/2-x
+1/2+z,-y,1/2-x
+1/2+z,1/2-y,-x
+-y,x,z
+-y,1/2+x,1/2+z
+1/2-y,x,1/2+z
+1/2-y,1/2+x,z
+x,z,y
+x,1/2+z,1/2+y
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+1/2+x,1/2+z,y
+-z,-y,-x
+-z,1/2-y,1/2-x
+1/2-z,-y,1/2-x
+1/2-z,1/2-y,-x
+y,x,z
+y,1/2+x,1/2+z
+1/2+y,x,1/2+z
+1/2+y,1/2+x,z
+-x,-z,-y
+-x,1/2-z,1/2-y
+1/2-x,-z,1/2-y
+1/2-x,1/2-z,-y
+z,y,x
+z,1/2+y,1/2+x
+1/2+z,y,1/2+x
+1/2+z,1/2+y,x
+-y,-x,-z
+-y,1/2-x,1/2-z
+1/2-y,-x,1/2-z
+1/2-y,1/2-x,-z
+z,x,-y
+z,1/2+x,1/2-y
+1/2+z,x,1/2-y
+1/2+z,1/2+x,-y
+-y,-z,x
+-y,1/2-z,1/2+x
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+x,y,-z
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+-z,-x,y
+-z,1/2-x,1/2+y
+1/2-z,-x,1/2+y
+1/2-z,1/2-x,y
+y,z,-x
+y,1/2+z,1/2-x
+1/2+y,z,1/2-x
+1/2+y,1/2+z,-x
+-x,-y,z
+-x,1/2-y,1/2+z
+1/2-x,-y,1/2+z
+1/2-x,1/2-y,z
+-z,x,y
+-z,1/2+x,1/2+y
+1/2-z,x,1/2+y
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+1/2+y,-z,1/2-x
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+-x,y,z
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+-y,z,x
+-y,1/2+z,1/2+x
+1/2-y,z,1/2+x
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+x,-y,-z
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+1/2+x,-y,1/2-z
+1/2+x,1/2-y,-z
+-x,z,-y
+-x,1/2+z,1/2-y
+1/2-x,z,1/2-y
+1/2-x,1/2+z,-y
+z,-y,x
+z,1/2-y,1/2+x
+1/2+z,-y,1/2+x
+1/2+z,1/2-y,x
+-y,x,-z
+-y,1/2+x,1/2-z
+1/2-y,x,1/2-z
+1/2-y,1/2+x,-z
+x,-z,y
+x,1/2-z,1/2+y
+1/2+x,-z,1/2+y
+1/2+x,1/2-z,y
+-z,y,-x
+-z,1/2+y,1/2-x
+1/2-z,y,1/2-x
+1/2-z,1/2+y,-x
+y,-x,z
+y,1/2-x,1/2+z
+1/2+y,-x,1/2+z
+1/2+y,1/2-x,z
+-x,-z,y
+-x,1/2-z,1/2+y
+1/2-x,-z,1/2+y
+1/2-x,1/2-z,y
+z,y,-x
+z,1/2+y,1/2-x
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+1/2+z,1/2+y,-x
+-y,-x,z
+-y,1/2-x,1/2+z
+1/2-y,-x,1/2+z
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+x,z,-y
+x,1/2+z,1/2-y
+1/2+x,z,1/2-y
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+-z,-y,x
+-z,1/2-y,1/2+x
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+y,x,-z
+y,1/2+x,1/2-z
+1/2+y,x,1/2-z
+1/2+y,1/2+x,-z
+-z,-x,-y
+-z,1/2-x,1/2-y
+1/2-z,-x,1/2-y
+1/2-z,1/2-x,-y
+y,z,x
+y,1/2+z,1/2+x
+1/2+y,z,1/2+x
+1/2+y,1/2+z,x
+-x,-y,-z
+-x,1/2-y,1/2-z
+1/2-x,-y,1/2-z
+1/2-x,1/2-y,-z
+z,x,y
+z,1/2+x,1/2+y
+1/2+z,x,1/2+y
+1/2+z,1/2+x,y
+-y,-z,-x
+-y,1/2-z,1/2-x
+1/2-y,-z,1/2-x
+1/2-y,1/2-z,-x
+loop_
+_atom_site_label
+_atom_site_fract_x
+_atom_site_fract_y
+_atom_site_fract_z
+Co 0.00000 0.00000 0.00000
+O 0.50000 0.50000 0.50000
+loop_
+_cod_related_entry_id
+_cod_related_entry_database
+_cod_related_entry_code
+1 ChemSpider 8117730
+2 AMCSD 0011296

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "bravais",
-  "version": "0.1.4",
+  "version": "0.2.0",
   "description": "A minimal crystal structure viewer for the web: reads CIF files and draws them with three.js.",
   "license": "MIT",
   "author": "Jiacheng Wang",
@@ -36,6 +36,7 @@
   },
   "files": [
     "dist",
+    "examples/CoO.cif",
     "CHANGELOG.md",
     "THIRD_PARTY_NOTICES.md"
   ],