This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
import numpy as np | |
from scipy.ndimage import filters | |
def find_edges(image, threshold=0.01, minf_size=3, medf_size=10): | |
""" | |
Applies an edge filter followed by a noise reduction filter. Very good | |
at locating powder rings and filtering everything else out. | |
Parameters | |
---------- |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
""" | |
This file contains methods to score a geometry optimization method against | |
known standards: AgBe, Ag. | |
""" | |
import numpy as np | |
from scipy import optimize | |
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
# this will install some of the less common dependencies for Odin | |
# assumes you have: | |
# -- numpy | |
# -- scipy | |
# -- matplotlib | |
# note you might have to upgrade the below if you already have them | |
# in that case, do "$ pip install -U <package-name>" |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
""" | |
Some simple functions TJ was using to fit ellipses. May be | |
useful, may not be. | |
""" | |
import numpy as np | |
from scipy import optimize |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
#!/usr/bin/env python | |
""" | |
Run a simple water simulation. | |
""" | |
from __future__ import print_function | |
from simtk.openmm.app import * | |
from simtk.openmm import * | |
from simtk.unit import * |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
#!/usr/bin/env python | |
""" | |
This script converts cheetah pixelmaps from the explicit-pixel cheetah format | |
(which stores the x/y/z values for each pixel) to an Odin Detector object, | |
which employs a basis representation. | |
-- TJL June 2013 | |
""" |
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
OlderNewer