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Docs/fix json reference (#513)
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docs/src/getting-started/json-format.rst

Lines changed: 16 additions & 17 deletions
Original file line numberDiff line numberDiff line change
@@ -21,7 +21,7 @@ The chemiscope JSON file consists of these top-level entries:
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- Required?
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* - ``meta``
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- Dataset metadata (name, authors, etc.)
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- No
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- Yes
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* - ``structures``
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- List of atomic structures (coordinates, cell, bonds)
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- Yes
@@ -46,7 +46,7 @@ Below is the detailed description of the values types and examples for each entr
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Metadata (``meta``)
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~~~~~~~~~~~~~~~~~~~
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Optional. Contains description of your dataset. The fields will be rendered as markdown.
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Required. Contains description of your dataset. The fields will be rendered as markdown.
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.. list-table:: Metadata fields
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:header-rows: 1
@@ -139,11 +139,6 @@ represented as an object with the following fields:
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- Unit cell vectors as ``[ax, ay, az, bx, by, bz, cx, cy, cz]`` (Å)
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- No
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- ``[10, 0, 0, 0, 10, 0, 0, 0, 10]``
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* - ``pbc``
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- bool[3]
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- Periodic boundary conditions for x, y, z.
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- No
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- ``[true, true, true]``
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* - ``bonds``
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- integer[][3]
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- List of bonds as ``[[i, j, order], ...]`` (0-based atom indices).
@@ -236,7 +231,7 @@ Each property is an object with the following fields:
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- Property description
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- No
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- ``"DFT-calculated forces"``
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* - ``parameter``
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* - ``parameters``
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- string[]
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- For multidimensional: single parameter name (links to ``parameters`` top-level)
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- If multidimensional properties
@@ -534,8 +529,8 @@ Each shape kind supports additional parameters (in addition to the common ones a
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- Yes
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* - ``radius``
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- number
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- Cylinder radius.
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- Yes
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- Cylinder radius (default: 0.1).
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- No
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**Arrow**
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@@ -554,16 +549,16 @@ Each shape kind supports additional parameters (in addition to the common ones a
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- Yes
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* - ``baseRadius``
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- number
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- Shaft radius.
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- Yes
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- Shaft radius (default: 0.1).
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- No
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* - ``headRadius``
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- number
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- Arrowhead radius.
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- Yes
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- Arrowhead radius (default: 0.15).
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- No
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* - ``headLength``
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- number
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- Arrowhead length; may extend beyond base if the vector is short.
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- Yes
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- Arrowhead length; may extend beyond base if the vector is short (default: 0.2).
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- No
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**Custom**
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@@ -790,9 +785,13 @@ Array of objects (one per viewer).
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- bool
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- Auto-rotate molecule
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- false
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* - ``cartoon``
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- bool
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- Show cartoon representation (for biomolecules)
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- false
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* - ``axes``
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- string
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- Axis system: ``"none"|"xyz"|"abc"``
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- Axis system: ``"off"|"xyz"|"abc"``
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- ``"xyz"``
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* - ``keepOrientation``
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- bool

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