implements some properties and methods common for all vertices
(children of oasa.chem_vertex), such as numbering and mark support
Methods
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__init__
create_mark
find_place_for_mark
get_marks_by_type
remove_mark
reposition_marks
set_mark
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__init__
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__init__ ( self )
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create_mark
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create_mark (
self,
mark='radical',
angle='auto',
draw=1,
angle_resolution=1,
)
creates the mark, does not care about the chemical meaning of this
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find_place_for_mark
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find_place_for_mark (
self,
mark,
resolution=30,
)
resolution says if the angles should be somehow rounded , it is given in degrees;
see geometry.point_on_circle for a similar thing
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get_marks_by_type
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get_marks_by_type ( self, mark_type )
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remove_mark
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remove_mark ( self, mark )
mark is either mark instance of type, in case of instance, the instance is removed,
in case of type a random mark of this type (if present is removed).
Returns the removed mark or None
Exceptions
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TypeError, "mark is on unknown type " + str( mark )
ValueError, "trying to remove a mark that does not belong to this atom"
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reposition_marks
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reposition_marks ( self )
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set_mark
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set_mark (
self,
mark='radical',
angle='auto',
draw=1,
angle_resolution=1,
)
sets the mark and takes care of charge and multiplicity changes;
mark may be either the class or mark name
Exceptions
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ValueError, "not a allowed mark for this type - %s" % mark
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