molecule_input

Displays a molecule sketcher widget and maps its value to the backend as a string + toolkit.Molecule object.

Basic use¶

frontend (html+django)backend (python)

{% htmx_molecule_input %}

from simmate.website.htmx.components import (
    HtmxComponent,
    MoleculeInput,
)


class TargetFormView(HtmxComponent, MoleculeInput):

    class Meta:
        javascript_exclude = (
            *HtmxComponent.Meta.javascript_exclude,
            *MoleculeInput.Meta.javascript_exclude,
        )

Parameters¶

Parameter	Description
`name`	The unique name or identifier for the input field. This should match the name of your class attribute in the backend. Type: `str`, Default: `"molecule"`
`label`	The display label for the input field. If not provided, the `name` may be used as the label. Type: `str`, Default: `None`
`show_label`	Whether to display the label alongside the input field. Type: `bool`, Default: `True`
`help_text`	Optional helper text to be shown alongside the input field. Type: `str`, Default: `None`
`load_button`	Whether to display a button that loads the molecule from the sketcher and the replaces the sketcher with the molecule image. Type: `bool`, Default: `True`
`defer`	Whether to defer processing or submission of the input value. Type: `bool`, Default: `True`
`many_molecules`	Whether to allow input of multiple molecules (e.g., as a list or batch input). Type: `bool`, Default: `False`
`export_format`	The format to export the molecule as. Options are `mol` and `smiles`. Type: `str`, Default: `"mol"`

For the molecule sketcher:

Parameter	Description
`allow_sketcher_input`	Whether to allow molecule input via a sketcher widget. Type: `bool`, Default: `True`
`sketcher_input_label`	The label to display above the sketcher input. Type: `str`, Default: `"Draw Molecule"`

For the text input area:

Parameter	Description
`allow_text_input`	Whether to allow molecule input via a text area (e.g., SMILES, mol block). Type: `bool`, Default: `False`
`text_input_label`	The label to display above the text input area. Type: `str`, Default: `"Paste Molecule Text"`

For the reference input area:

Parameter	Description
`allow_reference_input`	Whether to allow molecule input via a reference ID (e.g. PubChem CID). Type: `bool`, Default: `False`
`reference_input_label`	The label to display above the reference input field. Type: `str`, Default: `"Molecule Ref. ID"`
`reference_input_placeholder`	Placeholder text for the reference input field. Type: `str`, Default: `"12345"`

For the "custom input" area (e.g., IDs from other table):

Parameter	Description
`allow_custom_input`	Whether to allow a custom input field (e.g., for IDs or external references). Type: `bool`, Default: `False`
`custom_input_label`	The label to display above the custom input field. Type: `str`, Default: `"Custom Input"`
`custom_input_placeholder`	Placeholder text for the custom input field. Type: `str`, Default: `"12345"`