add newly defined functions to pxd files

as requested in: #2687 (comment)
ReactionMechanismGenerator · Dec 3, 2024 · 527b80b · 527b80b
1 parent 8aff585
commit 527b80b
Show file tree

Hide file tree

Showing 4 changed files with 14 additions and 0 deletions.
diff --git a/rmgpy/molecule/group.pxd b/rmgpy/molecule/group.pxd
@@ -31,6 +31,12 @@ cimport rmgpy.molecule.molecule as mol
 from cpython cimport bool
 ################################################################################
 
+cdef bool check_set(super_list, sub_list)
+
+cdef list add_cb_atom_to_ring(ring, cb_atom)
+
+cdef list merge_overlapping_benzene_rings(ring1, ring2, od)
+
 cdef class GroupAtom(Vertex):
 
     cdef public list atomtype

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

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

diff --git a/rmgpy/reaction.pxd b/rmgpy/reaction.pxd
@@ -38,6 +38,8 @@ cimport numpy as np
 
 ################################################################################
 
+cdef tuple get_sorting_key(spc)
+
 cdef class Reaction:
     cdef public int index
     cdef public str label