schrodinger.application.jaguar.scan module¶
Support functions and classes for Jaguar scans.
Copyright Schrodinger, LLC. All rights reserved.
- 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.
- precision = 0.001¶
- __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
- property final¶
final scan value
- property initial¶
initial scan value
- property steps¶
number of steps in the scan
- property step_size¶
step size (None for ‘at values’ scans)
- property at_values¶
an array of the scan values for ‘at values’ scans
- static parse(zvarstring)¶
Parse a scan definition string and return a Scan object.