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add newly defined functions to pxd files
as requested in: #2687 (comment)
1 parent cdfc487 commit bd2ecfd

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rmgpy/molecule/group.pxd

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@@ -31,6 +31,12 @@ cimport rmgpy.molecule.molecule as mol
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from cpython cimport bool
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################################################################################
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cdef bool check_set(super_list, sub_list)
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cdef list add_cb_atom_to_ring(ring, cb_atom)
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cdef list merge_overlapping_benzene_rings(ring1, ring2, od)
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cdef class GroupAtom(Vertex):
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cdef public list atomtype

rmgpy/molecule/molecule.pxd

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@@ -36,6 +36,8 @@ from rmgpy.molecule.graph cimport Vertex, Edge, Graph
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################################################################################
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cdef dict bond_orders
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cdef tuple _skip_first(in_tuple)
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cdef class Atom(Vertex):
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cdef public Element element

rmgpy/molecule/resonance.pxd

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@@ -28,6 +28,10 @@
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from rmgpy.molecule.graph cimport Vertex, Edge, Graph
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from rmgpy.molecule.molecule cimport Atom, Bond, Molecule
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cdef int _sum_atom_ids(atom_list)
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cdef tuple _tuplize_bond(bond)
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cpdef list populate_resonance_algorithms(dict features=?)
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cpdef dict analyze_molecule(Graph mol, bint save_order=?)

rmgpy/reaction.pxd

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@@ -38,6 +38,8 @@ cimport numpy as np
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################################################################################
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cdef tuple get_sorting_key(spc)
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cdef class Reaction:
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cdef public int index
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cdef public str label

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