molsysmt.basic.ConversionIssue#

class molsysmt.basic.ConversionIssue(attribute, reason, kind='unsupported', scope='chemical_state')[source]#

Describing one source semantic field not preserved by a conversion.

Parameters:
  • attribute (str)

  • reason (str)

  • kind (str)

  • scope (str)

attribute#

Canonical attribute or state concept affected by the issue.

Type:

str

reason#

Human-readable explanation of the detected limitation.

Type:

str

kind#

Machine-readable issue category. The default is 'unsupported'.

Type:

str

scope#

Semantic scope affected by the issue. The default is 'chemical_state' for backward compatibility with the first conversion preflight implementation.

Type:

str

.. versionadded:: 1.0.0
__init__(attribute, reason, kind='unsupported', scope='chemical_state')#
Parameters:
  • attribute (str)

  • reason (str)

  • kind (str)

  • scope (str)

Return type:

None

Methods

__init__(attribute, reason[, kind, scope])

Attributes