schrodinger.application.phase.compare_utils module¶
Provides comparison functionality for Phase unit tests.
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schrodinger.application.phase.compare_utils.
compare_hypo_add_cts
(hypo1, hypo2, tol=0.0001)¶ Compares additional CTs of the provided PhpHypoAdaptor objects.
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schrodinger.application.phase.compare_utils.
compare_hypo_cnst
(hypo1, hypo2, tol=0.0001)¶ Compares distance/angle/dihedral constrains in the provided PhpHypoAdaptor objects.
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schrodinger.application.phase.compare_utils.
compare_hypo_masks
(hypo1, hypo2)¶ Compares site masks in the provided PhpHypoAdaptor objects.
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schrodinger.application.phase.compare_utils.
compare_hypo_qsar
(hypo1, hypo2, tol=0.0001)¶ Compares the basic characteristics of QSAR models in the provided PhpHypoAdaptor objects.
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schrodinger.application.phase.compare_utils.
compare_hypo_rad
(hypo1, hypo2, tol=0.0001)¶ Compares feature radii in the provided PhpHypoAdaptor objects.
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schrodinger.application.phase.compare_utils.
compare_hypo_ref
(hypo1, hypo2, tol=0.0001)¶ Compares coordinates of the reference CTs in the PhpHypoAdaptor objects.
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schrodinger.application.phase.compare_utils.
compare_hypo_rules
(hypo1, hypo2)¶ Compares feature matching rules in the provided PhpHypoAdaptor objects.
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schrodinger.application.phase.compare_utils.
compare_hypo_sites
(hypo1, hypo2, tol=0.0001)¶ Compares the sites in the provided PhpHypoAdaptor objects.
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schrodinger.application.phase.compare_utils.
compare_hypo_tol
(hypo1, hypo2, tol=0.0001)¶ Compares positional tolerances in the provided PhpHypoAdaptor objects. objects.
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schrodinger.application.phase.compare_utils.
compare_hypo_vol
(hypo1, hypo2, tol=0.0001, included=False)¶ Compares excluded or included volumes in the provided PhpHypoAdaptor objects.
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schrodinger.application.phase.compare_utils.
compare_hypos
(hypo1, hypo2, tol=0.0001)¶ Compares the provided PhpHypoAdaptor objects.
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schrodinger.application.phase.compare_utils.
compare_sites
(site1, site2, tol=0.0001)¶ Compares two PhpSite objects.
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schrodinger.application.phase.compare_utils.
compare_structure_coordinates
(st1, st2, tol=0.0001, descr='')¶ Compares the coordinates of two structure.Structure objects. descr is a description of the structure, e.g., “Conformer 7”, “Reference CT”, “Additional CT 3”.