* Remove Dict::getData() for a strict abstraction boundary
Replace direct access to Dict's internal std::vector<Pair> with
encapsulated methods: size(), empty(), const iteration via
begin()/end(), appendPair(), markNonPOD(), and getRawVal().
This enables future changes to Dict's internal representation
without breaking callers.
Ref: rdkit/rdkit#9112
* Harden Dict::appendPair to take a populated Pair by move
appendPair(Pair&&) now auto-detects non-POD status via
RDValue::needsCleanup(), eliminating markNonPOD() and the
risk of dangling references or uninitialized entries.
needsCleanup() is placed next to destroy() on RDValue to
keep the POD/non-POD distinction in one place.
* Remove vestigial dictHasNonPOD param from streamReadProp
Both callers ignored the output. Non-POD detection is now handled
by Dict::appendPair via RDValue::needsCleanup().
* unbork java build
* Address PR review: bulk append, rename getRawVal, add custom data test
- Add Dict::append(vector<Pair>&&) for bulk insertion with reserve
- Use bulk append in streamReadProps to restore pre-allocation
- Rename getRawVal -> getRDValue per reviewer preference
- Add test verifying custom AnyTag data is destroyed through Dict lifecycle
* heed self-review
* don't manually implement vec.insert
* Add test: ExplicitBitVect round-trip through Dict serialization
Exercises the full streamWriteProps/streamReadProps path with an
ExplicitBitVect in an RDProps Dict, confirming the custom handler
is invoked and no memory is leaked (verified under valgrind).
* in anyTag test, assert destructors ran a specific number of times.
---------
Co-authored-by: bddap (Coding Agent) <andrew+bot@dirksen.com>
* start MaeWriter class
* start Wrapping MaeWriter
* mol -> mae block conversion
* copy general properties, except stereo
* improve docstrings
* Fix property filtering
* fail if no atoms; do not write empty bond blocks
* update atom indexes in bond block
* Fixes in MaeMolSupplier: check for duplicate bond definitions, stip property prefixes.
* add some tests
* adjust access, make dp_writer unique_ptr
* make Mol Writers non copyable
* extract bond translation to mapBond
* add write overload with heavy atom color arg
* forward declare mae::Writer, reverse CMakeFile changes
* revert the property filtering "fix"
* add some Python tests
* fix the windows build
* implement getText() static method
* mark the close() method as override
* locally undefine RDK_BUILD_MAEPARSER_SUPPORT
