Autodesk / molecular-design-toolkit / #139
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master: 87%

LAST BUILD BRANCH: publishing_fixes
DEFAULT BRANCH: master
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Jobs 1
Files 112
Run time 101min
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avirshup 
Install twine, add option for skipping tests

3542 of 8925 relevant lines covered (39.69%)

0.4 hits per line

Uncovered Existing Lines

Lines Coverage ∆ File
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 moldesign/data/chemical_components.py
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 moldesign/forcefields/amber.py
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 moldesign/molecules/bond_graph.py
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 moldesign/molecules/coord_arrays.py
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 moldesign/compute/remote_procedure_calls.py
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 moldesign/models/base.py
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 moldesign/models/models.py
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 moldesign/integrators/base.py
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 moldesign/interfaces/opsin_interface.py
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 moldesign/models/toys.py
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 moldesign/utils/descriptors.py
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 moldesign/models/amber.py
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 moldesign/utils/callsigs.py
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 moldesign/forcefields/errors.py
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 moldesign/helpers/qmmm.py
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 moldesign/method.py
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 moldesign/molecules/bonds.py
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 moldesign/geom/monitor.py
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 moldesign/mathutils/eigen.py
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 moldesign/molecules/properties.py
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 moldesign/tools/build.py
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 moldesign/compute/packages.py
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 moldesign/models/openbabel.py
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 moldesign/geom/shake.py
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 moldesign/integrators/verlet.py
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 moldesign/data/data.py
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 moldesign/utils/classes.py
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 moldesign/geom/alignment.py
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 moldesign/molecules/biounits.py
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 moldesign/orbitals/atomic_basis_fn.py
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 moldesign/helpers/helpers.py
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 moldesign/orbitals/basis.py
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 moldesign/forcefields/forcefieldbase.py
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 moldesign/helpers/logs.py
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 moldesign/orbitals/spherical.py
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 moldesign/utils/numerical.py
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 moldesign/units/tools.py
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 moldesign/forcefields/ffparams.py
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 moldesign/mathutils/vectormath.py
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 moldesign/integrators/openmm.py
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 moldesign/interfaces/pyscf_interface.py
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 moldesign/mathutils/grids.py
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 moldesign/orbitals/wfn.py
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 moldesign/units/unitsystem.py
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 moldesign/geom/grads.py
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 moldesign/geom/symmetry.py
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 moldesign/interfaces/ambertools.py
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 moldesign/min/smart.py
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 moldesign/molecules/primary_structure.py
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 moldesign/orbitals/primitives.py
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 moldesign/orbitals/gaussians.py
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 moldesign/compute/configuration.py
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 moldesign/mathutils/spherical_harmonics.py
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 moldesign/min/scipy.py
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 moldesign/compute/compute.py
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 moldesign/units/quantity.py
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 moldesign/min/descent.py
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 moldesign/tools/topology.py
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 moldesign/interfaces/biopython_interface.py
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 moldesign/utils/utils.py
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 moldesign/geom/coords.py
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 moldesign/models/qmmm.py
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 moldesign/geom/setcoord.py
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 moldesign/geom/constraints.py
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 moldesign/orbitals/cartesian.py
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 moldesign/orbitals/orbitals.py
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 moldesign/molecules/atoms.py
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 moldesign/interfaces/openbabel.py
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 moldesign/min/base.py
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 moldesign/molecules/atomcollections.py
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 moldesign/__main__.py
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 moldesign/molecules/chain.py
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 moldesign/interfaces/symmol_interface.py
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 moldesign/interfaces/pdbfixer_interface.py
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 moldesign/interfaces/tleap_interface.py
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 moldesign/interfaces/parmed_interface.py
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 moldesign/interfaces/openmm.py
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 moldesign/helpers/pdb.py
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 moldesign/fileio.py
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 moldesign/molecules/residue.py
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 moldesign/molecules/trajectory.py
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 moldesign/models/openmm.py
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 moldesign/models/pyscf.py
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 moldesign/molecules/molecule.py
Jobs
ID Job ID Ran Files Coverage
1 #139.1 0
39.69
Source Files on build #139
Detailed source file information is not available for this build.