# Changelog

All notable changes to ChemDraw Bridge are documented here.
The format follows [Keep a Changelog](https://keepachangelog.com/en/1.1.0/).

## [1.2.0] - 2026-11-02

### Added

- `chemdraw_convert`: ChemDraw-backed conversion between `.cdxml`, `.cdx`,
  `.mol`, `.sdf`, `.png` and `.svg`. This is the interoperability bridge for
  Avogadro, PyMOL, OpenBabel, Origin and other chemistry software.
- `insert_chemdraw`: inserts a real `ChemDraw.Document.6.0` OLE object into
  Word `.docx` or PowerPoint `.pptx`. The object remains editable by
  double-clicking; Word and PowerPoint are scaled to the page/slide with the
  source aspect ratio preserved.
- `scripts/office_insert.ps1` with Office COM cleanup and save retries.

### Changed

- README and Chinese manual document the ChemDraw conversion formats and the
  Word/PowerPoint OLE workflow, including the Office requirement.
- PDF is intentionally not a `chemdraw_convert` output: ChemDraw `SaveAs` does
  not reliably write PDF, so SVG/PNG or the Word/PowerPoint export path is used.

### Fixed

- Rebuilt `scripts/convert.ps1` and `scripts/reaction_layout.ps1` without
  `Get-Clipboard`: reading the clipboard triggered a Windows Defender
  quarantine of the scripts, which removed them and broke structure/reaction
  generation. They now only write the clipboard for SMILES paste and do not
  read it back.

## [1.1.1] - 2026-10-21

### Fixed

- Reaction captions were placed with `p` treated as a center, but ChemDraw's
  caption `p` is the left edge. Conditions and yields are now shifted by half
  their estimated text width, so they sit centered above/below the arrow.
- `draw_reaction` now measures each structure in ChemDraw before the final
  layout. Large substrates/products no longer collide with the arrow or the
  conditions; multiple condition lines are each centered above the arrow.
- `recognize_image` accepts an optional `expected_formula` hard check. A
  candidate with a missing or extra carbon is rejected instead of being drawn.
  This was added after a Fig. 2 interpretation missed the α-CH2 next to the
  carbonyl; the corrected substrate is C20H15N3O4 and the product is
  C26H19N3O4.

### Changed

- The README/Chinese manual now recommend passing `expected_formula` when the
  formula is known, and explicitly warn that PhthN/MQ/Boc abbreviations are not
  an OCSR use case.

## [1.1.0] - 2026-10-21

### Added

- `recognize_image`: OSRA structure recognition for a cropped figure image or a
  PDF page region, with RDKit validation of every SMILES candidate.
- `draw_reaction`: one-step reaction-scheme drafts from reactant/product SMILES,
  including arrow, conditions, yield and plus signs.
- SciFinder export import through `import_scifinder` (SDF preferred, CSV/TSV/TXT
  with CAS numbers also supported).
- `draw_from_identifier` accepts `SMILES:<smiles>` for structures that did not
  come from PubChem.
- Setup scripts for the non-committed runtime dependencies:
  `scripts/setup-python.ps1` and `scripts/setup-osra.ps1`.

### Changed

- Publication-style structure layout is now generated with RDKit CoordGen
  instead of ChemDraw's clipboard placement. This avoids tall, awkward layouts
  for large molecules.
- Standard drawing settings: Arial 9 pt labels, 0.4 cm bond length, 0.6 pt line
  width, 10 pt bond spacing and 1 pt margin.
- Reaction schemes use compact spacing, smaller arrowheads, 9 pt Arial
  conditions/yields and joined plus signs. Their structures also use CoordGen
  geometry for consistency with the single-structure layout.
- README and Chinese manual now include installation, image recognition,
  reaction drafting and SciFinder export sections.

### Fixed

- SMILES element counter treated an aromatic atom after an uppercase atom (for
  example `Oc1...`) as a two-letter element; it now only accepts real two-letter
  symbols such as `Cl` and `Br`.
- CoordGen MOL files set the absolute chiral flag, which removes ChemDraw's
  `&1` enhanced-stereo labels from the drawing.
- Reaction and structure automation wait for and clean up only the ChemDraw
  processes started by the current call.

## [1.0.0] - 2026-10-21

### Added

- Initial ChemDraw Bridge plugin: CAS/name/CID lookup, fuzzy candidate search,
  paper/SI extraction, native `.cdxml`/`.cdx` output and composition validation.