mordred.error

Error objects.

class mordred.error.MissingValueBase(error, stack)[source]

Bases: object

Base class of missing values.

Parameters:
  • error (Exception) – error object

  • stack (callstack)

error
stack
abstract property header

Header of warning message.

Returns:

str

class mordred.error.Missing(error, stack)[source]

Bases: MissingValueBase

known errored value.

header = 'Missing'
class mordred.error.Error(error, stack)[source]

Bases: MissingValueBase

unknown errored value.

header = 'ERROR'
exception mordred.error.MordredException[source]

Bases: Exception

exception mordred.error.MultipleFragments[source]

Bases: MordredException

multiple fragments detected on require_connected Descriptor.

exception mordred.error.Missing3DCoordinate[source]

Bases: MordredException

missing 3D coordinate on require_3D Descriptor.

exception mordred.error.DuplicatedDescriptorName(a, b)[source]

Bases: MordredException

duplicated string replisantation of descriptor.

exception mordred.error.Timeout[source]

Bases: MordredException

calculation timed out.