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fix(pybind): collapse operator overloads per Python type; add __ne__/__bool__; fix numpy dtype loss - #991

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fix(pybind): collapse operator overloads per Python type; add __ne__/__bool__; fix numpy dtype loss#991
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Problem

Addresses #928/#916 and finishes the core of #692. Every Tensor/UniTensor arithmetic operator was bound ~24× (one per C++ scalar type + numpy scalars). Beyond the stub blowup this caused live dtype bugs: pybind11's arithmetic caster accepts any __index__-bearing object even in the no-convert pass, so plain fixed-width int overloads registered ahead of the numpy-scalar ones silently ate np.int32/uint64/… and produced Int64 results; t[0] = np.float32(x) raised a hard RuntimeError (Tensor __setitem__ had no numpy coverage and complex128 registered first). Separately, t1 != t2 returned a single always-False bool for non-empty tensors (Python's default __ne__ negated the elementwise __eq__ Tensor via __len__), and bool(t) fell through to __len__.

Fix

  • Every binary/reverse/in-place operator on Tensor and UniTensor collapsed to a per-Python-distinguishable-type keep-set (24→14 / 23→13): Tensor operand, numpy scalars (32-bit + integer dtypes preserved), arbitrary-precision py::int_ with int64/uint64 runtime dispatch, double, complex128, Scalar — ordering is load-bearing and documented once in the new shared pybind/pyint_dispatch.hpp ("KEEP-SET ORDERING" note, cross-referencing PR Bind ExpH/ExpM with per-dtype overloads + Python-layer fixes (toward clean stubtest) #915 whose ExpH/ExpM work pioneered the pattern).
  • __setitem__/set_elem numpy coverage + ordering fixed on both classes; __pow__/__ipow__ accept ints and numpy scalars.
  • New elementwise __ne__ (composed from existing kernels, Bool result, mirrors __eq__ including the Scalar operand) and numpy-semantics __bool__ (ValueError for multi-element or Void; truthiness of the single element otherwise). Behavior change: if tensor: previously meant len(tensor) > 0.

Testing

pytests/binding_dtype_test.py (20 tests) with per-test baseline red/green documented — 10 genuinely red pre-fix (dtype loss, setitem error, __ne__/__bool__ traps). Full pytest 55 passed. Known pre-existing gap (numpy scalar on the LEFT of Tensor hits __iter__) documented, out of scope.

Stacking

Base branch is fix/pybind-inplace-return-self (PR #986). Merge #986 first, then retarget to master.

🤖 Generated with Claude Code

…_bool__ (#928/#916/#692)

Every Tensor/UniTensor arithmetic dunder (__add__, __iadd__, ...) was bound
once per C++ scalar type (12 native cytnx_* types) and once per numpy scalar
type (11 more), even though most collapse to the same Python-visible
signature (~5600 stub overload-cannot-match errors once stubs exist, #928).
Collapsed each operator to the keep-set: Tensor/UniTensor, numpy_scalar<float>,
numpy_scalar<complex64>, numpy_scalar<int64/uint64/int32/uint32/int16/uint16/
bool>, py::int_ (dispatch_pyint), cytnx_double, cytnx_complex128, Scalar.
Applied to __add__/__radd__/__iadd__, __sub__/__rsub__/__isub__,
__mul__/__rmul__/__imul__, __truediv__/__rtruediv__/__itruediv__, and, as a
consistency extension beyond the plan's literal inventory (these share the
identical per-dtype shape and __ifloordiv__ was already in scope),
__floordiv__/__rfloordiv__/__ifloordiv__ and __mod__/__rmod__ (Tensor only;
no __imod__ exists). UniTensor's __mod__/__rmod__ were dead code (wrapped in
a block comment) and were left untouched. Counts per operator: 24 -> 14
(forward/in-place, Tensor operand present) or 23 -> 13 (reverse, no Tensor
operand); __eq__ 23 -> 14 (gained the previously-commented-out Scalar
overload for consistency with the rest of the keep-set).

dispatch_pyint (single-arg variant of the helper introduced for ExpH/ExpM in
PR #915) and the canonical KEEP-SET ORDERING rationale live in a new shared
header pybind/pyint_dispatch.hpp, included by tensor_py.cpp and
unitensor_py.cpp; the per-operator-group comment blocks are one-line pointers
to it. linalg_py.cpp's two-arg copy should fold into this header after #915
merges.

Root cause for a real numpy integer-dtype-preservation bug (not just missing
coverage): pybind11's plain arithmetic type_caster accepts any object
satisfying __index__ even in the no-convert pass (pybind11 3.x cast.h), and
every numpy integer scalar implements __index__, so a fixed-width cytnx_intNN
overload registered before the matching numpy_scalar<intNN> overload wins
first and silently collapses e.g. np.int32/np.uint32/np.int16/np.uint16/
np.uint64 to Int64. Fixed for every operator group by registering numpy
scalars before py::int_/cytnx_double/cytnx_complex128, per the plan's
overload-order discipline (full rationale in pyint_dispatch.hpp).

Tensor's __setitem__ had a worse case of the same bug: it had ZERO
numpy_scalar overloads, and np.float32 matched the FIRST-registered
cytnx_complex128 overload (Python's complex() falls back to __float__), so
`t[0] = np.float32(x)` on a real-dtype Tensor raised a hard RuntimeError
("cannot assign complex element to real container") instead of merely
mis-preserving dtype. Fixed by adding the numpy-scalar keep-set ahead of
double/complex128. Recon during this task found UniTensor's own
__setitem__/set_elem (both the vector-locator and single-int-locator/
diagonal-UniTensor overload families) had the identical bug, so -- since
"UniTensor's existing coverage" the plan asked Tensor to mirror was itself
broken -- UniTensor's __setitem__/set_elem got the same fix rather than
propagating the bug forward; this is a modest scope extension beyond the
plan's literal Tensor-only instruction.

__ne__ was unbound: cytnx has no elementwise operator!=/Neq/logical-not
kernel (checked include/linalg.hpp and src/linalg/), so Python's default
`not (self == rhs)` collapsed __eq__'s elementwise Bool Tensor result through
__bool__/__len__ to a single bare `False` for any non-empty operand --
a silently wrong scalar instead of an elementwise comparison. Implemented
__ne__ by composing two EXISTING kernels instead of adding a new one:
`(1 - self.Cpr(rhs)).astype(Type.Bool)` (Cpr is the same call __eq__ uses;
arithmetic negation on the Bool result promotes to Int64 0/1, and astype
casts back to a proper Bool Tensor). The keep-set mirrors __eq__ exactly,
including the trailing cytnx::Scalar overload -- without it, `t != Scalar(x)`
only resolved through lossy Scalar.__float__/__complex__ implicit-conversion
fallbacks that printed cytnx error noise to stderr mid-dispatch and lost
precision for integer Scalars beyond 2**53. Verified against numpy
elementwise != semantics for 1-D and 2-D contiguous tensors.

__bool__ was unbound, so truthiness fell through to __len__ (`if tensor:`
just checked shape()[0] != 0): never raised for a multi-element tensor, and
gave a RuntimeError instead of a meaningful truth value for an uninitialized
(Void-dtype) Tensor. Implemented with numpy semantics: ValueError for
size > 1 ("truth value ... is ambiguous"), ValueError for an uninitialized
Tensor, and bool(item) for exactly one element. BEHAVIOR CHANGE: `if tensor:`
used to be equivalent to `if len(tensor):` and now raises ValueError for any
multi-element tensor instead.

__pow__/__ipow__ (Tensor and UniTensor) only accepted a plain cytnx_double
exponent; pybind11's implicit conversion already made Python int/np.float32
work by accident (Pow's output dtype follows the base tensor, not the
exponent), but explicit py::int_ and numpy_scalar<float> overloads were
added anyway so a precise (non-implicit-conversion) signature is available
once the stub pipeline (#915) lands.

@= (Tensor.__imatmul__) is now genuinely in-place: T2's binding does
`self.cast<Tensor&>() = Dot(...)` on the caller's own py::object, so
`a is ref` holds after `a @= b`. On unmodified master (before T2), `@=` only
appeared to work because the old python wrapper method was misspelled
`__imatmul` (missing trailing underscore) instead of `__imatmul__`, making
the real C++ __imatmul__ binding unreachable dead code; Python's `@=`
silently fell back to `t = t.__matmul__(x)`, which rebinds the *name* in the
caller's scope rather than mutating the object. Added a pinning regression
test for this (test_imatmul_preserves_identity).

Storage().pylist() on a Void-dtype Storage now raises RuntimeError (via
cytnx_error_msg), where the old Python wrapper (removed in T2) raised
ValueError -- noting this pre-existing T2 behavior change for the PR record
since it hadn't been written down yet.

Also: removed the now-orphaned `from beartype.typing import List` import in
cytnx/Bond_conti.py (dead since T2 folded all of Bond's Python-side
delegation into the C++ bindings, leaving nothing in this module to
type-hint against).

Stacks on fix/pybind-inplace-return-self (T2); merge after that PR.

Co-Authored-By: Claude <noreply@anthropic.com>

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Code Review

This pull request collapses redundant per-dtype operator overloads for both Tensor and UniTensor down to a canonical "keep-set" of Python-distinguishable types, resolving several numpy interop and type-preservation bugs. It also introduces the missing __ne__ and __bool__ operators for Tensor, and adds a helper dispatch_pyint to safely handle Python arbitrary-precision integers. The feedback suggests optimizing the dispatch_pyint function to immediately catch negative overflow and check for conversion exceptions earlier. Additionally, it recommends optimizing the __ne__ implementation to use self.Cpr(rhs).Cpr(0) instead of (1 - self.Cpr(rhs)).astype(cytnx::Type.Bool) to avoid unnecessary type promotion and memory allocations.

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Comment thread pybind/pyint_dispatch.hpp
Comment on lines +74 to +82
const long long ia = PyLong_AsLongLongAndOverflow(a.ptr(), &overflow);
if (overflow == 0) return fn(static_cast<cytnx::cytnx_int64>(ia));
const unsigned long long ua = PyLong_AsUnsignedLongLong(a.ptr());
if (PyErr_Occurred()) {
PyErr_Clear();
cytnx_error_msg(true, "[ERROR] integer scalar out of the supported int64/uint64 range.%s",
"\n");
}
return fn(static_cast<cytnx::cytnx_uint64>(ua));

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high

In dispatch_pyint, if overflow < 0 (negative overflow), calling PyLong_AsUnsignedLongLong is guaranteed to fail and set a Python exception because negative values cannot be converted to unsigned integers. We can immediately check if (overflow < 0) and throw the error without calling PyLong_AsUnsignedLongLong.

Additionally, we should check PyErr_Occurred() right after PyLong_AsLongLongAndOverflow to handle any conversion exceptions (e.g., if __index__ raises an exception) before proceeding.

    const long long ia = PyLong_AsLongLongAndOverflow(a.ptr(), &overflow);
    if (PyErr_Occurred()) {
      PyErr_Clear();
      cytnx_error_msg(true, "[ERROR] integer scalar conversion failed.%s", "\n");
    }
    if (overflow == 0) return fn(static_cast<cytnx::cytnx_int64>(ia));
    if (overflow < 0) {
      cytnx_error_msg(true, "[ERROR] integer scalar out of the supported int64/uint64 range.%s",
                      "\n");
    }
    const unsigned long long ua = PyLong_AsUnsignedLongLong(a.ptr());
    if (PyErr_Occurred()) {
      PyErr_Clear();
      cytnx_error_msg(true, "[ERROR] integer scalar out of the supported int64/uint64 range.%s",
                      "\n");
    }
    return fn(static_cast<cytnx::cytnx_uint64>(ua));

Comment thread pybind/tensor_py.cpp
Comment on lines +1521 to +1523
[](cytnx::Tensor &self, const cytnx::Tensor &rhs) {
return (1 - self.Cpr(rhs)).astype(cytnx::Type.Bool);
})

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medium

The current implementation of __ne__ uses (1 - self.Cpr(rhs)).astype(cytnx::Type.Bool). This triggers type promotion of the Bool tensor to Int64 (or Double) during the subtraction, allocates a temporary tensor, and then casts it back to Bool via .astype().

A much more efficient and elegant approach is to use self.Cpr(rhs).Cpr(0). Since self.Cpr(rhs) returns a Bool tensor, comparing it elementwise with 0 (which represents false) directly yields the logical NOT of the equality comparison as a Bool tensor, avoiding any type promotion, extra allocations, or casting. This optimization can be applied to all other __ne__ overloads in this file.

Suggested change
[](cytnx::Tensor &self, const cytnx::Tensor &rhs) {
return (1 - self.Cpr(rhs)).astype(cytnx::Type.Bool);
})
[](cytnx::Tensor &self, const cytnx::Tensor &rhs) {
return self.Cpr(rhs).Cpr(0);
})

@pcchen

pcchen commented Jul 7, 2026

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Code Review

Collapses every Tensor/UniTensor arithmetic operator from ~24 per-C++-dtype overloads to a ~14-entry per-Python-distinguishable-type "keep-set" with a load-bearing registration order (centralized in the new pybind/pyint_dispatch.hpp), fixes real numpy dtype-loss bugs, and adds elementwise __ne__ + numpy-semantics __bool__ on Tensor.

Correctness — verified

  • dispatch_pyint is sound: PyLong_AsLongLongAndOverflow -> int64 when it fits (covers all negatives), else uint64, else a clean out-of-range error. Cpr(rhs) is literally *this == rhs, so __eq__ and __ne__ share one kernel. ✅
  • The keep-set ordering rationale is accurate. Both documented pybind11 traps are real: the __index__ no-convert trap (numpy ints greedily eaten by a plain integral overload) and the __float__-fallback trap (complex128 capturing np.float32). The __add__/__eq__ orderings match the documented sequence, and dropping numpy_scalar<double>/<complex128> is correct — np.float64/np.complex128 are float/complex subclasses absorbed by the double/complex128 casters in the no-convert pass. ✅
  • __ne__ = (1 - self.Cpr(rhs)).astype(Bool), composed from existing kernels, mirrors __eq__ (incl. the Scalar operand); fixes the old always-False trap. ✅
  • __bool__ raises ValueError on Void/multi-element (numpy semantics), else the single element's truthiness (with a proper complex-zero check). ✅
  • UniTensor gets the same collapse but intentionally no __eq__/__ne__/__bool__ — verified it has zero __eq__ bindings, so !=/bool() fall back to safe Python identity defaults. Sound scoping (unlike Tensor, where an elementwise __eq__ made the default != actively wrong). ✅
  • Tests (20) are excellent: dtype preservation for every numpy scalar type, large-int -> uint64, __ne__ (not-silently-wrong / elementwise / Scalar), __bool__ (raises + single-element), UniTensor coverage — plus test_imatmul_preserves_identity, which also closes the @= identity gap noted on refactor(pybind): bind in-place methods directly, drop the c__* shadow API #986. ✅
  • Compilation is green on all wheel platforms (macOS x2, Ubuntu x2), which also confirms the re-enabled operator==(Tensor, Scalar) path builds. ✅

Findings (all low / nits — none blocking)

  1. Documented behavior change — bool(t). if tensor: no longer means len(tensor) > 0; multi-element/Void now raise ValueError. Well flagged in the PR/code/tests, but it's a real API break — worth a changelog/release-note entry since downstream if tensor: idioms will start raising.
  2. Undocumented minor change — Python bool operands. Dropping the C++ cytnx_bool overload routes Python True/False through py::int_ (int64 path) instead of Bool. numpy-consistent and harmless for float tensors, but for a small-int-dtype tensor it can shift the result dtype (int16 + True -> Int64 vs Int16). Untested edge; worth a one-line note.
  3. dispatch_pyint return-type coupling (latent). Both branches must deduce the same type from the generic fn — true for all current call sites, but a footgun for future callers; a short comment or static_assert would harden it.
  4. Nit: the pyint_dispatch.hpp error message still uses the pre-fix(error): bounded formatting, namespaced impl, single-report errors #983 "...range.%s", "\n" idiom (zero-vararg calls are legal now).
  5. Nit (already acknowledged in-code): dispatch_pyint duplicates Bind ExpH/ExpM with per-dtype overloads + Python-layer fixes (toward clean stubtest) #915's two-arg helper; the comment already plans to fold them once Bind ExpH/ExpM with per-dtype overloads + Python-layer fixes (toward clean stubtest) #915 merges.
  6. CI: wheels compile green, but confirm a fresh BuildAndTest/pytest run on the current master-merged state before merge (the visible test run predates the retarget).

The left-of-Tensor numpy-scalar gap (np.float32(1.0) + t hits __iter__) is pre-existing, explicitly documented, and out of scope — reasonable.

Verdict

Strong, unusually well-documented PR that fixes several genuine dtype bugs and centralizes a subtle, easy-to-regress ordering invariant with excellent tests. Findings are all notes, not blockers. Approve-with-nits, pending a fresh full-test CI run.

Posted by Claude Code on behalf of @pcchen

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Approving. This fixes several genuine numpy dtype-loss bugs (silent Int64/complex coercion, the t[0] = np.float32(x) hard error), replaces the always-False != with a correct elementwise __ne__, and adds numpy-semantics __bool__ — while collapsing the ~24x per-dtype overloads behind a well-documented, centralized keep-set ordering. The ordering rationale (the __index__ no-convert and __float__-fallback traps) is accurate, __ne__/__eq__ share one kernel, UniTensor's omission of __eq__/__ne__/__bool__ is a sound identity-fallback choice, and the 20-test suite is thorough (including the @= identity test that also covers the #986 gap). Compilation is green on all wheel platforms.

Non-blocking follow-ups (fine here or in a fast-follow):

  • Add a changelog/release-note line for the bool(t) behavior change (if tensor: now raises ValueError for multi-element/Void instead of meaning len > 0).
  • Optional: note the Python-bool-operand dtype shift (now routed through the int64 py::int_ path), and add a short comment/static_assert on dispatch_pyint's same-return-type requirement.

Please confirm a fresh full BuildAndTest/pytest run is green on the current master-merged state before merging (the visible test run predates the retarget).

Posted by Claude Code on behalf of @pcchen

@pcchen
pcchen merged commit d6dcd16 into master Jul 7, 2026
10 checks passed
@pcchen
pcchen deleted the fix/pybind-collapse-operator-overloads branch July 7, 2026 07:58
yingjerkao added a commit that referenced this pull request Jul 7, 2026
…hon surface (#934)

Maintainer ruling (yingjerkao, 2026-07-06, phase2-api-semantics plan T3):
UniTensor is a tensor-network object, not a raw array. Elementwise
UniTensor(+)UniTensor arithmetic has no general tensor-network meaning --
for BlockUniTensor/BlockFermionicUniTensor it either destroys the block
structure or is basis-dependent (#934's enumeration); #753/#675 additionally
document it silently discarding labels.

Audit (required before any removal): grepped src/linalg/*Ut*.cpp,
src/linalg/Lanczos*, and all python pytests/examples for UniTensor
elementwise +/-.
  - src/linalg/Lanczos_Gnd_Ut.cpp (backs cytnx.linalg.Lanczos(method="Gnd"),
    used by the DMRG examples) uses `new_psi -= alpha*psi_1`,
    `new_psi -= (alpha*psi_1 + beta*psi_0)`, and `eV += kryVg.at(n)*psi_s.at(n)`
    as genuine Krylov-subspace axpy.
  - src/linalg/Lanczos_Exp.cpp (backs cytnx.linalg.Lanczos_Exp, used by the
    TDVP example) uses UniTensor +/-/+=/-= extensively inside its Lanczos and
    BiCGSTAB inner solvers (Gram-Schmidt projection, residual updates, etc).
  - No python pytest or example (DMRG/TDVP/iTEBD/ED) calls `ut1 + ut2` or
    `ut1 - ut2` directly; they only reach the solvers through
    cytnx.linalg.Lanczos(...)/Lanczos_Exp(...) entry points. iTEBD's
    `Hx*TFterm + J*ZZterm` operates on plain Tensor (from physics.pauli/Kron),
    not UniTensor, and is unaffected.
  - Conclusion: remove only the python surface; keep the C++ operators
    (they live in include/linalg.hpp, not include/UniTensor.hpp as initially
    assumed -- corrected during the audit) because the Krylov solvers
    genuinely depend on them as vector-space arithmetic.

Removed (pybind/unitensor_py.cpp): the UniTensor-vs-UniTensor overload in
each of __add__, __iadd__, __sub__, __isub__, __mul__, __imul__,
__truediv__, __itruediv__ now raises TypeError via a new
raise_unitensor_elementwise_removed() helper. Three named guidance
constants (kUniTensorAddSubRemovedGuidance / kUniTensorMulRemovedGuidance /
kUniTensorDivRemovedGuidance) cover the eight call sites: the +/- family
names Contract()/Kron()/scalar alternatives and points at
cytnx.linalg.Lanczos()/Lanczos_Exp()/Arnoldi() for Krylov-style axpy; the
* and / messages are remedy-first and name ut.get_block() Tensor-level
arithmetic as the escape hatch for genuinely-elementwise use. All
scalar<->UniTensor overloads in these same dunder groups (numpy scalars,
py::int_, cytnx_double, cytnx_complex128, cytnx::Scalar, both directions,
in-place and out-of-place) are untouched and keep working, per the decision
record. __radd__/__rsub__/__rmul__/__rtruediv__ never had a UniTensor-vs-
UniTensor overload to begin with (Python never reaches them for two
UniTensor operands since __add__/etc. handle that case) so nothing changes
there. Mod/Pow/Inv (also flagged in #934) are out of scope for this task's
literal enumeration and are left untouched.

Kept (include/linalg.hpp, include/UniTensor.hpp): the free
operator+/-/*/ (UniTensor,UniTensor) overloads and the
UniTensor::Add/Sub/Mul/Div(_) member functions (plus the UniTensor_base
virtuals) are undecorated (no [[deprecated]] -- the task scope is the python
surface only). The canonical rationale lives as a doxygen note on
operator+(const UniTensor&, const UniTensor&) in include/linalg.hpp
(load-bearing +/- for the Krylov solvers vs. unused-but-not-yet-removed
*// Hadamard product/division); every other entry point carries a one-line
"internal/advanced ... see operator+ ... for the full rationale" cross-ref.

TDD: pytests/binding_unitensor_elementwise_test.py added first (red at
base ecb1fbd -- all 4 ops currently succeed instead of raising; green
after). Raise-tests pin ordered two-token regexes ((?s)934.*Contract /
.*Kron / .*get_block). binding_dtype_test.py's existing UniTensor coverage
(test_unitensor_numpy_int32_preserves_dtype et al.) only exercises
scalar<->UniTensor arithmetic and needed no changes.

Gates: pytest 55 (base) + 16 (new file) = 71 passed, no regressions,
including the DMRG/TDVP/iTEBD/ED example suite (8 passed) which exercises
the surviving C++ Krylov-solver arithmetic end-to-end. build_py (C++ +
pybind) rebuilds clean with zero warnings across the full library and
extension module.

BREAKING CHANGE (python users): `ut1 + ut2`, `ut1 - ut2`, `ut1 * ut2`,
`ut1 / ut2`, and their in-place forms, now raise TypeError when both
operands are UniTensor. Use Contract()/Kron() for tensor-network
composition, cytnx.linalg.Lanczos()/Lanczos_Exp()/Arnoldi() for
Krylov-style vector-space linear combinations, ut.get_block() Tensor
arithmetic for genuinely-elementwise block manipulation, or scalar
arithmetic (unaffected) for the common "scale by a number" case.

Stacked on #991 (fix/pybind-collapse-operator-overloads, tip ecb1fbd);
branched as refactor/unitensor-drop-elementwise per the phase2-api-semantics
plan's T3.

Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
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