Description
Describe the bug
FutureWarning: ChainedAssignmentError
To Reproduce
Steps to reproduce the behavior:
from alphatims.bruker import TimsTOF
data = TimsTOF("/path/to/dot/d/file.d")
Expected behavior
no pandas warnings
Logs
.venv/lib/python3.10/site-packages/alphatims/bruker.py:238: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:
df["col"][row_indexer] = value
Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.
See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy
frames.Time[0] = 0
.venv/lib/python3.10/site-packages/alphatims/bruker.py:239: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:
df["col"][row_indexer] = value
Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.
See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy
frames.MaxIntensity[0] = 0
.venv/lib/python3.10/site-packages/alphatims/bruker.py:240: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:
df["col"][row_indexer] = value
Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.
See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy
frames.SummedIntensities[0] = 0
.venv/lib/python3.10/site-packages/alphatims/bruker.py:241: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate
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object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:
df["col"][row_indexer] = value
Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.
See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy
frames.NumPeaks[0] = 0
.venv/lib/python3.10/site-packages/alphatims/bruker.py:242: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:
df["col"][row_indexer] = value
Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.
See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy
frames.MsMsType[0] = 0
.venv/lib/python3.10/site-packages/alphatims/bruker.py:243: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:
df["col"][row_indexer] = value
Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.
See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy
polarity_col = frames["Polarity"].copy()
100%|██████████| 2672/2672 [00:00<00:00, 13209.29it/s]
Version (please complete the following information):
- Installation Type pip
- If no log is available, provide the following:
- Platform information
- system [Darwin]
- release [1.0.8]
- version [1.0.8]
- machine [arm]
- processor [m4]
- cpu count [13]
- Python information:
- alphatims version [1.0.8]
- Platform information
I've added a PR #298
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