qmfcalc
Quadrupole mass filter calculation utilities.
Python
The Python package builds a native extension with pybind11:
python -m pip install .
Python 3.12 and 3.13 are supported targets.
or directly from a Git checkout:
python -m pip install git+https://github.com/<owner>/<repo>.git
Use it from Python:
import qmfcalc
result = qmfcalc.calculate_voltages(
r0_mm=15.0,
target_m_over_q_amu_per_z=250.0,
resolution=250.0,
rf_frequency_mhz=1.0,
)
print(result["rf_voltage_v"], result["dc_voltage_v"])
inverse = qmfcalc.calculate_mass_resolution(
r0_mm=15.0,
rf_voltage_v=result["rf_voltage_v"],
dc_voltage_v=result["dc_voltage_v"],
rf_frequency_mhz=1.0,
)
print(inverse["m_over_q_amu_per_z"], inverse["resolution"])
rf_voltage_v is the per-rod peak-to-peak RF voltage. dc_voltage_v is the
pole-to-pole DC voltage. calculate_mass_resolution uses the same voltage
conventions and returns the transmitted mass-to-charge value in amu/Z plus the
resolving power.
The GitHub Actions workflow in .github/workflows/python-package.yml builds and
tests Python 3.12 and 3.13 Linux and Windows wheels on pushes and pull requests.
PyPI release
Configure a PyPI pending trusted publisher with:
- PyPI project name:
qmfcalc - Owner:
kenji0923 - Repository:
qmfcalc - Workflow name:
publish-pypi.yml - Environment name:
pypi
Then publish a GitHub Release from a version tag, for example:
git tag v0.1.2
git push origin v0.1.2
The .github/workflows/publish-pypi.yml workflow builds the Python 3.12 and
3.13 Linux and Windows wheels, builds the source distribution, and publishes
them to PyPI.
1 maintainer
Metadata
1 maintainer
Release files for qmfcalc 0.1.2
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| qmfcalc-0.1.2.tar.gz | 17.8 kB | With provenance | Details for qmfcalc-0.1.2.tar.gz |
Built distributions (wheels)
| File | Actions Reset | |||
|---|---|---|---|---|
| qmfcalc-0.1.2-cp313-cp313-win_amd64.whl | CPython 3.13 | CPython 3.13 | Windows x86-64 | Details for qmfcalc-0.1.2-cp313-cp313-win_amd64.whl |
| qmfcalc-0.1.2-cp313-cp313-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl | CPython 3.13 | CPython 3.13 | Linux glibc 2.28+ x86-64, Linux glibc 2.24+ x86-64 | Details for qmfcalc-0.1.2-cp313-cp313-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl |
| qmfcalc-0.1.2-cp312-cp312-win_amd64.whl | CPython 3.12 | CPython 3.12 | Windows x86-64 | Details for qmfcalc-0.1.2-cp312-cp312-win_amd64.whl |
| qmfcalc-0.1.2-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl | CPython 3.12 | CPython 3.12 | Linux glibc 2.24+ x86-64, Linux glibc 2.28+ x86-64 | Details for qmfcalc-0.1.2-cp312-cp312-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl |
Total release size: 700.0 kB
Release files / qmfcalc-0.1.2.tar.gz
| Download URL | qmfcalc-0.1.2.tar.gz |
|---|---|
| Size | 17.8 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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| Download URL | qmfcalc-0.1.2-cp313-cp313-win_amd64.whl |
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| Size | 264.6 kB |
| Tags | CPython 3.13 Windows x86-64 |
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| Download URL | qmfcalc-0.1.2-cp313-cp313-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl |
|---|---|
| Size | 76.5 kB |
| Tags | CPython 3.13 Linux glibc 2.24+ x86-64 Linux glibc 2.28+ x86-64 |
|
SHA-256 checksum How to use checksums |
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| Download URL | qmfcalc-0.1.2-cp312-cp312-win_amd64.whl |
|---|---|
| Size | 264.5 kB |
| Tags | CPython 3.12 Windows x86-64 |
|
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Yes |
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| Size | 76.5 kB |
| Tags | CPython 3.12 Linux glibc 2.24+ x86-64 Linux glibc 2.28+ x86-64 |
|
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