diff --git a/HISTORY.rst b/HISTORY.rst index 4616975..dd63426 100644 --- a/HISTORY.rst +++ b/HISTORY.rst @@ -2,6 +2,13 @@ History ======= +1.2.2 (2025-06-27) +------------------ + +* Expansion of the sample model language, see #140 for details. +* Improve documentation (#132, #135) +* Some bug fixes + 1.2.1 (2024-07-01) ------------------ diff --git a/orsopy/__init__.py b/orsopy/__init__.py index 63c6ddf..fb35196 100644 --- a/orsopy/__init__.py +++ b/orsopy/__init__.py @@ -1,3 +1,3 @@ """Top-level package for orsopy.""" -__version__ = "1.3.0" +__version__ = "1.2.2" diff --git a/orsopy/fileio/schema/refl_header.schema.json b/orsopy/fileio/schema/refl_header.schema.json index a3b94ca..3787d47 100644 --- a/orsopy/fileio/schema/refl_header.schema.json +++ b/orsopy/fileio/schema/refl_header.schema.json @@ -838,208 +838,6 @@ "title": "Layer", "type": "object" }, - "LipidLeaflet": { - "properties": { - "apm": { - "anyOf": [ - { - "type": "number" - }, - { - "$ref": "#/$defs/Value" - }, - { - "type": "null" - } - ] - }, - "b_heads": { - "anyOf": [ - { - "type": "number" - }, - { - "$ref": "#/$defs/ComplexValue" - }, - { - "type": "null" - } - ] - }, - "vm_heads": { - "anyOf": [ - { - "type": "number" - }, - { - "$ref": "#/$defs/Value" - }, - { - "type": "null" - } - ] - }, - "b_tails": { - "anyOf": [ - { - "type": "number" - }, - { - "$ref": "#/$defs/ComplexValue" - }, - { - "type": "null" - } - ] - }, - "vm_tails": { - "anyOf": [ - { - "type": "number" - }, - { - "$ref": "#/$defs/Value" - }, - { - "type": "null" - } - ] - }, - "thickness_heads": { - "anyOf": [ - { - "type": "number" - }, - { - "$ref": "#/$defs/Value" - }, - { - "type": "null" - } - ] - }, - "roughness_head_tail": { - "anyOf": [ - { - "type": "number" - }, - { - "$ref": "#/$defs/Value" - }, - { - "type": "null" - } - ], - "default": null - }, - "head_solvent": { - "anyOf": [ - { - "$ref": "#/$defs/Material" - }, - { - "$ref": "#/$defs/Composit" - }, - { - "type": "string" - }, - { - "type": "null" - } - ], - "default": null - }, - "tail_solvent": { - "anyOf": [ - { - "$ref": "#/$defs/Material" - }, - { - "$ref": "#/$defs/Composit" - }, - { - "type": "string" - }, - { - "type": "null" - } - ], - "default": null - }, - "thickness": { - "anyOf": [ - { - "type": "number" - }, - { - "$ref": "#/$defs/Value" - }, - { - "type": "null" - } - ], - "default": null - }, - "roughness": { - "anyOf": [ - { - "type": "number" - }, - { - "$ref": "#/$defs/Value" - }, - { - "type": "null" - } - ], - "default": null - }, - "reverse_monolayer": { - "anyOf": [ - { - "type": "boolean" - }, - { - "type": "null" - } - ], - "default": false - }, - "sub_stack_class": { - "anyOf": [ - { - "type": "string" - }, - { - "type": "null" - } - ], - "const": "LipidLeaflet", - "default": "LipidLeaflet" - }, - "comment": { - "anyOf": [ - { - "type": "string" - }, - { - "type": "null" - } - ], - "default": null - } - }, - "required": [ - "apm", - "b_heads", - "vm_heads", - "b_tails", - "vm_tails", - "thickness_heads" - ], - "title": "LipidLeaflet", - "type": "object" - }, "Material": { "properties": { "formula": { @@ -1652,9 +1450,6 @@ }, { "$ref": "#/$defs/FunctionTwoElements" - }, - { - "$ref": "#/$defs/LipidLeaflet" } ] }, diff --git a/orsopy/fileio/schema/refl_header.schema.yaml b/orsopy/fileio/schema/refl_header.schema.yaml index 892994e..fed32a8 100644 --- a/orsopy/fileio/schema/refl_header.schema.yaml +++ b/orsopy/fileio/schema/refl_header.schema.yaml @@ -425,95 +425,6 @@ $defs: default: null title: Layer type: object - LipidLeaflet: - properties: - apm: - anyOf: - - type: number - - $ref: '#/$defs/Value' - - type: 'null' - b_heads: - anyOf: - - type: number - - $ref: '#/$defs/ComplexValue' - - type: 'null' - b_tails: - anyOf: - - type: number - - $ref: '#/$defs/ComplexValue' - - type: 'null' - comment: - anyOf: - - type: string - - type: 'null' - default: null - head_solvent: - anyOf: - - $ref: '#/$defs/Material' - - $ref: '#/$defs/Composit' - - type: string - - type: 'null' - default: null - reverse_monolayer: - anyOf: - - type: boolean - - type: 'null' - default: false - roughness: - anyOf: - - type: number - - $ref: '#/$defs/Value' - - type: 'null' - default: null - roughness_head_tail: - anyOf: - - type: number - - $ref: '#/$defs/Value' - - type: 'null' - default: null - sub_stack_class: - anyOf: - - type: string - - type: 'null' - const: LipidLeaflet - default: LipidLeaflet - tail_solvent: - anyOf: - - $ref: '#/$defs/Material' - - $ref: '#/$defs/Composit' - - type: string - - type: 'null' - default: null - thickness: - anyOf: - - type: number - - $ref: '#/$defs/Value' - - type: 'null' - default: null - thickness_heads: - anyOf: - - type: number - - $ref: '#/$defs/Value' - - type: 'null' - vm_heads: - anyOf: - - type: number - - $ref: '#/$defs/Value' - - type: 'null' - vm_tails: - anyOf: - - type: number - - $ref: '#/$defs/Value' - - type: 'null' - required: - - apm - - b_heads - - vm_heads - - b_tails - - vm_tails - - thickness_heads - title: LipidLeaflet - type: object Material: properties: comment: @@ -960,7 +871,6 @@ $defs: - $ref: '#/$defs/ItemChanger' - $ref: '#/$defs/SubStack' - $ref: '#/$defs/FunctionTwoElements' - - $ref: '#/$defs/LipidLeaflet' type: object - type: 'null' default: null