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Add tools module and lattice_tools #249

Merged
merged 35 commits into from
Dec 21, 2015
Merged

Add tools module and lattice_tools #249

merged 35 commits into from
Dec 21, 2015

Commits on Dec 11, 2015

  1. add hypothesis to the dev_requirements

    @kitchoi
    kitchoi committed Dec 11, 2015
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  2. added tools __init__.py

    @kitchoi
    kitchoi committed Dec 11, 2015
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  3. added tools.lattice_tools

    @kitchoi
    kitchoi committed Dec 11, 2015
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  4. added tools.tests directory

    @kitchoi
    kitchoi committed Dec 11, 2015
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  5. added test_lattice_tools

    @kitchoi
    kitchoi committed Dec 11, 2015
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  6. fixed import

    @kitchoi
    kitchoi committed Dec 11, 2015
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  7. renamed test [ci skip]

    @kitchoi
    kitchoi committed Dec 11, 2015
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  8. unpack the lattice dict instead of the defaultdict

    @kitchoi
    kitchoi committed Dec 11, 2015
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  9. add hypothesis to appveyor-install.cmd

    @kitchoi
    kitchoi committed Dec 11, 2015
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  10. clean up namespace

    @kitchoi
    kitchoi committed Dec 11, 2015
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  11. minor fix in docstring [ci skip]

    @kitchoi
    kitchoi committed Dec 11, 2015
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  12. clean up not used variable

    @kitchoi
    kitchoi committed Dec 11, 2015
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Commits on Dec 15, 2015

  1. use a module level TOLERANCE constant for precision control

    @kitchoi
    kitchoi committed Dec 15, 2015
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  2. alternative primitive cells for body-centered lattices

    @kitchoi
    kitchoi committed Dec 15, 2015
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  3. speed up checking for base_centered_orthorhombic lattice

    @kitchoi
    kitchoi committed Dec 15, 2015
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  4. added more symmetric cases for base-centered orthorhombic lattice

    @kitchoi
    kitchoi committed Dec 15, 2015
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Commits on Dec 16, 2015

  1. consistent usage of the TOLERANCE parameter (docstring added)

    @kitchoi
    kitchoi committed Dec 16, 2015
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  2. added tests for alternative cells and refactored rotate/permute/flip

    @kitchoi
    kitchoi committed Dec 16, 2015
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  3. fixed guess_primitive_vectors

    @kitchoi
    kitchoi committed Dec 16, 2015
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  4. flake8 fix

    @kitchoi
    kitchoi committed Dec 16, 2015
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  5. added test for guess_primitive_vectors

    @kitchoi
    kitchoi committed Dec 16, 2015
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Commits on Dec 17, 2015

  1. improved docstring

    @kitchoi
    kitchoi committed Dec 17, 2015
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  2. added checking for invalid vectors/points and tests for them

    @kitchoi
    kitchoi committed Dec 17, 2015
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  3. edited docstring and comments for guess_primitive_vectors

    @kitchoi
    kitchoi committed Dec 17, 2015
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  4. minor changes in the comments

    @kitchoi
    kitchoi committed Dec 17, 2015
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  5. added tests for changing TOLERANCE level

    @kitchoi
    kitchoi committed Dec 17, 2015
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  6. flake8 fix

    @kitchoi
    kitchoi committed Dec 17, 2015
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  7. add checking for nan or inf values

    @kitchoi
    kitchoi committed Dec 17, 2015
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  8. raise ValueError instead for wrong spacing

    @kitchoi
    kitchoi committed Dec 17, 2015
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  9. add test for changing TOLERANCE for guess_primitive_vectors

    @kitchoi
    kitchoi committed Dec 17, 2015
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  10. check nan or inf for all functions, not just one

    @kitchoi
    kitchoi committed Dec 17, 2015
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  11. move tolerance to function parameters

    @kitchoi
    kitchoi committed Dec 17, 2015
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Commits on Dec 21, 2015

  1. edited docstring for same_primitive_cell_config

    @kitchoi
    kitchoi committed Dec 21, 2015
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  2. fix naming of lengths and checking of parallel vectors

    @kitchoi
    kitchoi committed Dec 21, 2015
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  3. tolerance consistent with numpy.isclose for test case

    @kitchoi
    kitchoi committed Dec 21, 2015
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