schrodinger.application.jaguar.scan module¶
Support functions and classes for Jaguar scans.
Copyright Schrodinger, LLC. All rights reserved.
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class
schrodinger.application.jaguar.scan.
Scan
(var_name, initial=None, final=None, steps=None, step_size=None, at_values=None)¶ Bases:
object
A class for storing information about geometry scan variables.
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precision
= 0.001¶
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__init__
(var_name, initial=None, final=None, steps=None, step_size=None, at_values=None)¶ This constructor can be used for two different types of scans - regular and irregular. For regular scans, the ‘initial’ argument must be specified along with two out of the three arguments ‘final,’ ‘steps,’ or ‘step_size.’ For irregular scans, the only argument that should be specified is ‘at_values.’
Attributes
- var_name (str)
- The name of the variable the scan is based on.
- initial (float)
- The starting point for a scan.
- final (float)
- The final point for a scan.
- steps (float)
- The number of steps in the scan
- step_size (float)
- The step size of a regular scan.
- at_values (sequence of floats)
- Specific values at which a
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final
¶ final scan value
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initial
¶ initial scan value
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steps
¶ number of steps in the scan
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step_size
¶ step size (None for ‘at values’ scans)
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at_values
¶ an array of the scan values for ‘at values’ scans
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static
parse
(zvarstring)¶ Parse a scan definition string and return a Scan object.
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