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License: MIT License
Open-source Python project to analyze HPLC–DAD raw data.
License: MIT License
When attempting to install the mocca
package, it fails due to the sklearn
being depreciated, and should be replaced with scikit-learn
. I was able to install by setting the environmental variable, but this isn't ideal.
error: subprocess-exited-with-error
× python setup.py egg_info did not run successfully.
│ exit code: 1
╰─> [18 lines of output]
The 'sklearn' PyPI package is deprecated, use 'scikit-learn'
rather than 'sklearn' for pip commands.
Here is how to fix this error in the main use cases:
- use 'pip install scikit-learn' rather than 'pip install sklearn'
- replace 'sklearn' by 'scikit-learn' in your pip requirements files
(requirements.txt, setup.py, setup.cfg, Pipfile, etc ...)
- if the 'sklearn' package is used by one of your dependencies,
it would be great if you take some time to track which package uses
'sklearn' instead of 'scikit-learn' and report it to their issue tracker
- as a last resort, set the environment variable
SKLEARN_ALLOW_DEPRECATED_SKLEARN_PACKAGE_INSTALL=True to avoid this error
More information is available at
https://github.com/scikit-learn/sklearn-pypi-package
If the previous advice does not cover your use case, feel free to report it at
https://github.com/scikit-learn/sklearn-pypi-package/issues/new
[end of output]
I am hoping to use Mocca in my current research project. I was wondering if would be possible to enable the selection of more than one compound with known concentration and retention time in a HplcInput() object? This would allow me to use calibration samples with more than one analyte at the time, which is often how I prepare them. Currently, it appears to me that HplcInput() objects are limited to one compound object input.
Please let me know if I have misunderstood anything and no worries if the proposed change is unfeasible. Thanks!
set up environment mostly according to the tutorial:
conda create -n mocca python=3.9
conda activate mocca
pip install git+https://github.com/HaasCP/mocca@master
pip3 install -U datapane==0.14
pip install notebook
while going through the cyanation tutorial, I use this code:
# folders handling
import os
from glob import glob
# user interaction
from mocca.user_interaction.campaign import HplcDadCampaign
from mocca.user_interaction.user_objects import Gradient
from mocca.user_interaction.user_objects import Compound
from mocca.user_interaction.user_objects import InternalStandard
from mocca.user_interaction.user_objects import HplcInput
from mocca.user_interaction.settings import Settings
# reporting
from mocca.report.main import report
And I get this error:
---------------------------------------------------------------------------
ImportError Traceback (most recent call last)
File ~\AppData\Local\anaconda3\envs\mocca\lib\site-packages\requests_toolbelt\_compat.py:48
47 try:
---> 48 from requests.packages.urllib3.contrib import appengine as gaecontrib
49 except ImportError:
ImportError: cannot import name 'appengine' from 'requests.packages.urllib3.contrib' (C:\Users\CGong\AppData\Local\anaconda3\envs\mocca\lib\site-packages\urllib3\contrib\__init__.py)
During handling of the above exception, another exception occurred:
ImportError Traceback (most recent call last)
Cell In[1], line 14
11 from mocca.user_interaction.settings import Settings
13 # reporting
---> 14 from mocca.report.main import report
File ~\AppData\Local\anaconda3\envs\mocca\lib\site-packages\mocca\report\main.py:8
1 # -*- coding: utf-8 -*-
2 """
3 Created on Wed May 25 08:39:04 2022
4
5 @author: HaasCP
6 """
----> 8 from mocca.report.hplc_input import report_hplc_input
9 from mocca.report.gradient import report_gradients
10 from mocca.report.chromatograms import report_chroms
File ~\AppData\Local\anaconda3\envs\mocca\lib\site-packages\mocca\report\hplc_input.py:11
9 import os
10 import pandas as pd
---> 11 import datapane as dp
14 def exps_to_df(exps):
15 """
16 Transfers relevant information of HplcInput objects in a pandas df.
17 """
File ~\AppData\Local\anaconda3\envs\mocca\lib\site-packages\datapane\__init__.py:28
25 from .common.utils import enable_logging, log, _setup_dp_logging
27 # Public API re-exports
---> 28 from .client.api import (
29 Attachment,
30 Media,
31 BigNumber,
32 Code,
33 DataTable,
34 Divider,
35 Embed,
36 Empty,
37 File,
38 Group,
39 FontChoice,
40 Formula,
41 HTML,
42 Media,
43 Text,
44 Page,
45 PageLayout,
46 Params,
47 Plot,
48 Report,
49 ReportFormatting,
50 ReportWidth,
51 Result,
52 Run,
53 Schedule,
54 App,
55 Select,
56 SelectType,
57 Table,
58 Text,
59 TextAlignment,
60 Toggle,
61 Environment,
62 by_datapane,
63 signup,
64 login,
65 logout,
66 ping,
67 hello_world,
68 builtins,
69 )
70 from .client.config import init
71 from .common.dp_types import DPMode, set_dp_mode, get_dp_mode
File ~\AppData\Local\anaconda3\envs\mocca\lib\site-packages\datapane\client\api\__init__.py:50
46 # flake8: noqa F401
47 # Internal API re-exports
48 import warnings
---> 50 from .common import HTTPError, Resource
51 from .dp_object import DPObjectRef
52 from .report.blocks import (
53 Attachment,
54 BigNumber,
(...)
71 Toggle,
72 )
File ~\AppData\Local\anaconda3\envs\mocca\lib\site-packages\datapane\client\api\common.py:27
25 from packaging.version import Version
26 from requests import HTTPError, Response # noqa: F401
---> 27 from requests_toolbelt import MultipartEncoder, MultipartEncoderMonitor
29 from datapane import _TEST_ENV, __version__
30 from datapane.client import config as c
File ~\AppData\Local\anaconda3\envs\mocca\lib\site-packages\requests_toolbelt\__init__.py:12
1 # -*- coding: utf-8 -*-
2 """
3 requests-toolbelt
4 =================
(...)
9 :license: Apache v2.0, see LICENSE for more details
10 """
---> 12 from .adapters import SSLAdapter, SourceAddressAdapter
13 from .auth.guess import GuessAuth
14 from .multipart import (
15 MultipartEncoder, MultipartEncoderMonitor, MultipartDecoder,
16 ImproperBodyPartContentException, NonMultipartContentTypeException
17 )
File ~\AppData\Local\anaconda3\envs\mocca\lib\site-packages\requests_toolbelt\adapters\__init__.py:12
1 # -*- coding: utf-8 -*-
2 """
3 requests-toolbelt.adapters
4 ==========================
(...)
9 :license: Apache v2.0, see LICENSE for more details
10 """
---> 12 from .ssl import SSLAdapter
13 from .source import SourceAddressAdapter
15 __all__ = ['SSLAdapter', 'SourceAddressAdapter']
File ~\AppData\Local\anaconda3\envs\mocca\lib\site-packages\requests_toolbelt\adapters\ssl.py:16
12 import requests
14 from requests.adapters import HTTPAdapter
---> 16 from .._compat import poolmanager
19 class SSLAdapter(HTTPAdapter):
20 """
21 A HTTPS Adapter for Python Requests that allows the choice of the SSL/TLS
22 version negotiated by Requests. This can be used either to enforce the
(...)
43 properly when used with proxies.
44 """
File ~\AppData\Local\anaconda3\envs\mocca\lib\site-packages\requests_toolbelt\_compat.py:50
48 from requests.packages.urllib3.contrib import appengine as gaecontrib
49 except ImportError:
---> 50 from urllib3.contrib import appengine as gaecontrib
52 if requests.__build__ < 0x021200:
53 PyOpenSSLContext = None
ImportError: cannot import name 'appengine' from 'urllib3.contrib' (C:\Users\CGong\AppData\Local\anaconda3\envs\mocca\lib\site-packages\urllib3\contrib\__init__.py)
I'm not sure where the dependencies broke, but I was unable to do pip install mocca
because the requirements in the pip package still uses sklearn
rather than scikit-learn
, so I had to improvise. I am working on Windows.
Edit: To clarify, the HplcDadCampaign
and other classes used for analysis works fine, it's just report
that is the problem.
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