brukeropus

 1'''
 2`brukeropus` is a Python package for interacting with Bruker's OPUS spectroscopy software. Currently, the package can
 3read OPUS data files and communicate/control OPUS software using the DDE communication protocol)
 4
 5### Installation
 6`brukeropus` requires `python 3.6+` and `numpy`, but `matplotlib` is needed to run the plotting examples.  You can
 7install with pip:
 8```python
 9pip install brukeropus
10```
11
12### Namespace
13`brukeropus` provides direct imports to the following:
14```python
15from brukeropus import find_opus_files, read_opus, OPUSFile, Opus, parse_file_and_print
16```
17All other file functions or classes can be directly imported from the `brukeropus.file` or `brukeropus.control`
18submodules, e.g.:
19```python
20from brukeropus.file import parse_header
21```
22It is recommended that you do **not** import from the fully qualified namespace, e.g.:
23```python
24from brukeropus.file.parse import parse_header
25```
26as that namespace is subject to change. Instead import directly from `brukeropus` or its first level submodules.
27
28### Reading OPUS Files (Basic Usage)
29`brukeropus` can read the proprietary binary files saved by Bruker's OPUS software.
30```python
31from brukeropus import read_opus
32from matplotlib import pyplot as plt
33
34opus_file = read_opus('file.0')  # Returns an OPUSFile class
35
36opus_file.print_parameters()  # Pretty prints all metadata in the file to the console
37
38if 'a' in opus_file.data_keys:  # If absorbance spectra was extracted from file
39    plt.plot(opus_file.a.x, opus_file.a.y)  # Plot absorbance spectra
40    plt.title(opus_file.sfm + ' - ' + opus_file.snm)  # Sets plot title to Sample Form - Sample Name
41    plt.show()  # Display plot
42```
43More detailed documentation on the file submodule can be found in `brukeropus.file`
44
45### Controlling OPUS Software (Basic Usage)
46`brukeropus` can also control/communicate directly with OPUS over the DDE communication protocol.  For this to work,
47you must be on Windows and OPUS must be open and logged in.
48```python
49from brukeropus import opus, read_opus
50from matplotlib import pyplot as plt
51
52opus = Opus()  # Connects to actively running OPUS software
53
54apt_options = opus.get_param_options('apt') # Get all valid aperture settings
55
56for apt in apt_options[2:-2]: # Loop over all but the two smallest and two largest aperature settings
57    filepath = opus.measure_sample(apt=apt, nss=10, unload=True) # Perform measurement and unload file from OPUS
58    data = read_opus(filepath) # Read OPUS file from measurement
59    plt.plot(data.sm.x, data.sm.y, label=apt) # Plot single-channel sample spectra
60plt.legend()
61plt.show()
62```
63More detailed documentation on the control submodule can be found in `brukeropus.control`.
64'''
65
66from brukeropus.file import OPUSFile, read_opus, find_opus_files, parse_file_and_print
67
68try:
69    from brukeropus.control import Opus
70except:
71    pass