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Functions
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author
cell
conquest
parse
quest
remprg
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author
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author ( s )
Perform a CSD query for an author name.
parameters:
- s
the author name.
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cell
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cell ( cl )
Perform a CSD query for a unit cell.
parameters:
- cell
a crystal.Cell() instance
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conquest
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conquest ( name="collect", list=None )
Run the conquest program on the refcodes listed in list |
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parse
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parse ( fn )
Parses the CSD screen output captured in the named file.
Returns an instance of the Hits() class.
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Exceptions
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ValueError( "Error running CSD program. Please configure 'csdhome' correctly." )
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quest
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quest (
s,
name="collect",
virtual=None,
)
Run a non-interactive question to the database.
parameters:
- s
the query in the form of a string
- name
the name of the project. This is the prefix of all
file names that will be used.
- virtual
if set to a string should point to a file consisting
of a list of REFcodes making up a virtual database.
return value: an instance of the Hits() class.
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Exceptions
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ValueError( "CSD has not been configured" )
ValueError( "Error running CSD program. Please configure 'csdhome' correctly." )
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remprg
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remprg ()
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Classes
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| Hit | Storage of a CSD hit. | | Hits | Class behaving a bit like a list of Hit() objects. |
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