Release 1.0.0

Added

• Add Conan support

• Explicit definition of which headers make up the public API in the
  tutorial-like documentation

• Molecule canonicalization: After canonicalization, isomorphism checks reduce
  to an identity comparison.

• GraphAlgorithms.h for public graph algorithms. Currently contains only a
  graph distance BFS algorithm

• A doc target that builds the Doxygen documentation, which is now more
  extensive and contains the beginnings of a tutorial

• Many parameters of Distance Geometry can now be altered by passing a
  non-defaulted Configuration object.

• Isomer predicate and generator header Isomers.h

• Higher-level editing functionality in Editing.h

• More shapes up to icosahedron and cuboctahedron (size 12)

• Continuous symmetry, shape measures

• Experimental SMILES Parser

• Python bindings

  • Molecule instances integrate nicely with notebooks using _repr_svg_
  • Doctested examples

Changed

• The PRNG Engine is seeded directly instead of a wrapper object that helps
  with generating random numbers. The PRNG engine is part of molassembler's
  public interface instead of the sublibrary temple. The engine is constructed
  on first use.
• Molassembler's validation and analysis binaries are no longer built by
  default (see CMake options)
• Add BSD-3 license marker to all files and a checker script
• Adopt Scine code conventions regarding namespace formatting
• Enclose temple, shapes, and stereopermutation sub-libraries in molassembler
  namespace