Dan Porter DanPorter

## i16_read_nxs_files_babelscan.py
# module load python/3
# or pip install babelscan

import sys
sys.path.insert(0, '/dls_sw/i16/software/python/babelscan')
from babelscan import file_loader, FolderMonitor

# Load scan object
scan = file_loader('/dls/i16/data/2021/mm29566-1/12345.nxs')
print(scan)

## i16_read_nxs_files_h5py.py
# module load python/3
# or pip install h5py (comes with anaconda python)

import h5py

with h5py.File('example_nexus/794932.nxs', 'r') as nx:

    print(nx['entry1']['measurement'].keys())

    dataset = nx['entry1/measurement/eta']

## i16_read_dat_files_dnp.py
# module load python/3
# or pip install scisoftpy

import scisoftpy as dnp

path = '/dls/i16/data/2021/mm29566-1/%d.dat'

d = dnp.io.load(path % 12345)

eta_array = d.eta

## i16_read_dat_files_py16.py
# module load python/3
# or copy "py16progs.py" from https://github.com/DanPorter/Py16

import sys,os
import numpy as np
import matplotlib.pyplot as plt # Plotting
from mpl_toolkits.mplot3d import Axes3D # 3D plotting

# Load Py16progs
sys.path.insert(0,'/dls_sw/i16/software/python/Py16/Py16progs.py') # location of Py16progs

## diffcalc_example.py
# Create new UB
newub # interactive... you will need sample name and lattice parameters

# Add constraints (vertical geometry)
con gam 0 mu 0 phi phi() # phi fixed
con gam 0 mu 0 bisect # bisecting

# Move to position (with pilatus)
pos do do.pil # set delta offset to pilatus detector
pos delta c2th([h,k,l]) eta c2th([h,k,l])/2

## i16_diffractometer_rotations.py
"""
Python module: Diffractometer Rotations

Set of functions to define diffractometer rotations.

Based on definitions set by:
  Busing & Levy Acta Cryst. 22, 457 (1967)
  H. You, J. Appl. Cryst. 32 (1999), 614-623

By Dan Porter

## multiple_scattering.py
"""
Dans_Diffraction Examples
Run multiple scattering calculations

Install Dans_Diffraction from pip:
pip install Dans-Diffraction

Or, download the latest version from Github:
$ git clone https://github.com/DanPorter/Dans_Diffraction.git
"""

## Dans_Diffraction_notebook.ipynb

      
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                DanPorter
                / Dans_Diffraction_notebook.ipynb
            
            
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              August 30, 2019 10:37
            
          
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## pip_install_Dans_Diffraction.py

print('This is version 1.2')
import subprocess
subprocess.call(['pip', 'install', 'Dans_Diffraction'])

#import git
#git.Git().clone("https://github.com/DanPorter/Dans_Diffraction.git")
#!pip install Dans_Diffraction
#import pip, site, importlib
#pip.main(['install', '--user', 'Dans_Diffraction']) # ystockquote could be any package on PyPI

## start_Dans_Diffraction.sh
# To install Dans_Diffraction, choose one of the following three options:

# 1. To copy the folder into the local directory:
git clone https://github.com/DanPorter/Dans_Diffraction.git
cd Dans_Diffraction

# 2. To install the last stabel version:
pip install Dans-Diffraction

# 3. To install the latest version directly from github:
	# module load python/3
	# or pip install babelscan

	import sys
	sys.path.insert(0, '/dls_sw/i16/software/python/babelscan')
	from babelscan import file_loader, FolderMonitor

	# Load scan object
	scan = file_loader('/dls/i16/data/2021/mm29566-1/12345.nxs')
	print(scan)
	# module load python/3
	# or pip install h5py (comes with anaconda python)

	import h5py

	with h5py.File('example_nexus/794932.nxs', 'r') as nx:

	print(nx['entry1']['measurement'].keys())

	dataset = nx['entry1/measurement/eta']
	# module load python/3
	# or pip install scisoftpy

	import scisoftpy as dnp

	path = '/dls/i16/data/2021/mm29566-1/%d.dat'

	d = dnp.io.load(path % 12345)

	eta_array = d.eta
	# module load python/3
	# or copy "py16progs.py" from https://github.com/DanPorter/Py16

	import sys,os
	import numpy as np
	import matplotlib.pyplot as plt # Plotting
	from mpl_toolkits.mplot3d import Axes3D # 3D plotting

	# Load Py16progs
	sys.path.insert(0,'/dls_sw/i16/software/python/Py16/Py16progs.py') # location of Py16progs
	# Create new UB
	newub # interactive... you will need sample name and lattice parameters

	# Add constraints (vertical geometry)
	con gam 0 mu 0 phi phi() # phi fixed
	con gam 0 mu 0 bisect # bisecting

	# Move to position (with pilatus)
	pos do do.pil # set delta offset to pilatus detector
	pos delta c2th([h,k,l]) eta c2th([h,k,l])/2
	"""
	Python module: Diffractometer Rotations

	Set of functions to define diffractometer rotations.

	Based on definitions set by:
	Busing & Levy Acta Cryst. 22, 457 (1967)
	H. You, J. Appl. Cryst. 32 (1999), 614-623

	By Dan Porter
	"""
	Dans_Diffraction Examples
	Run multiple scattering calculations

	Install Dans_Diffraction from pip:
	pip install Dans-Diffraction

	Or, download the latest version from Github:
	$ git clone https://github.com/DanPorter/Dans_Diffraction.git
	"""

	print('This is version 1.2')
	import subprocess
	subprocess.call(['pip', 'install', 'Dans_Diffraction'])

	#import git
	#git.Git().clone("https://github.com/DanPorter/Dans_Diffraction.git")
	#!pip install Dans_Diffraction
	#import pip, site, importlib
	#pip.main(['install', '--user', 'Dans_Diffraction']) # ystockquote could be any package on PyPI
	# To install Dans_Diffraction, choose one of the following three options:

	# 1. To copy the folder into the local directory:
	git clone https://github.com/DanPorter/Dans_Diffraction.git
	cd Dans_Diffraction

	# 2. To install the last stabel version:
	pip install Dans-Diffraction

	# 3. To install the latest version directly from github: