set_2d_coords_aligned crashes if template mol has no conformer

[eloyfelix]

this works:

using RDKitMinimalLib

mol = get_mol("CC(=O)Oc1ccccc1C(=O)O")
template = get_mol("CC(=O)Nc1ccc(O)cc1")
set_2d_coords(template)

set_2d_coords_aligned(mol, template)
println(get_molblock(mol))

this crashes:

using RDKitMinimalLib

mol = get_mol("CC(=O)Oc1ccccc1C(=O)O")
template = get_mol("CC(=O)Nc1ccc(O)cc1")

set_2d_coords_aligned(mol, template)

libc++abi.dylib: terminating with uncaught exception of type RDKit::ConformerException: No conformations available on the molecule

signal (6): Abort trap: 6
in expression starting at REPL[4]:1
__pthread_kill at /usr/lib/system/libsystem_kernel.dylib (unknown line)
Allocations: 2648 (Pool: 2639; Big: 9); GC: 0
zsh: abort      julia

[eloyfelix]

fixed in RDKit, need to send a PR to Yggdrasil

[eloyfelix]

fixed