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Fix CIPWnorm output discrepancy #69

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merged 3 commits into from
Mar 9, 2022

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bomtuckle
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@bomtuckle bomtuckle commented Mar 3, 2022

Description

Made changes to CIPWnorm function to remove errors in the output that were occurring due to a problem with the correction of mineral molecular masses.

Related Issue

CIPWnorm feature #53

Motivation and Context

Make the output fully comparable with SINCLAS/IgRoCs

Types of changes

  • Bug fix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • Breaking change (fix or feature that would cause existing functionality to change)

Checklist:

  • My code follows the code style of this project.
  • My change requires a change to the documentation.
  • I have updated the documentation accordingly.
  • I have added tests to cover my changes.
  • All new and existing tests passed.

@coveralls
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Pull Request Test Coverage Report for Build 1927909317

  • 87 of 88 (98.86%) changed or added relevant lines in 1 file are covered.
  • 21 unchanged lines in 1 file lost coverage.
  • Overall coverage decreased (-0.2%) to 89.242%

Changes Missing Coverage Covered Lines Changed/Added Lines %
pyrolite/mineral/normative.py 87 88 98.86%
Files with Coverage Reduction New Missed Lines %
pyrolite/mineral/normative.py 21 91.43%
Totals Coverage Status
Change from base Build 1793156490: -0.2%
Covered Lines: 5790
Relevant Lines: 6488

💛 - Coveralls

@morganjwilliams
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I've had another look at CIPW in light of this working as expected and found a bug or two in the molecular masses (principally that using existing parsing,"2MgO SiO2" != "(MgO)2 SiO2"); I'll pull this in and address anything residual I can see.

@morganjwilliams morganjwilliams merged commit b75852b into morganjwilliams:develop Mar 9, 2022
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3 participants