use super::{OperateOnSpins, SpinOperator, ToSparseMatrixOperator, ToSparseMatrixSuperOperator};
use crate::fermions::{FermionHamiltonian, FermionOperator};
use crate::mappings::JordanWignerSpinToFermion;
use crate::prelude::*;
use crate::spins::{HermitianOperateOnSpins, PauliProduct, SpinIndex};
use crate::{
CooSparseMatrix, GetValue, OperateOnDensityMatrix, OperateOnState, StruqtureError,
StruqtureVersionSerializable, MINIMUM_STRUQTURE_VERSION,
};
#[cfg(feature = "indexed_map_iterators")]
use indexmap::map::{Entry, Iter, Keys, Values};
#[cfg(feature = "indexed_map_iterators")]
use indexmap::IndexMap;
use num_complex::Complex64;
use qoqo_calculator::{CalculatorComplex, CalculatorFloat};
use serde::{Deserialize, Serialize};
#[cfg(not(feature = "indexed_map_iterators"))]
use std::collections::hash_map::{Entry, Iter, Keys, Values};
#[cfg(not(feature = "indexed_map_iterators"))]
use std::collections::HashMap;
use std::fmt::{self, Write};
use std::iter::{FromIterator, IntoIterator};
use std::ops;
#[derive(Debug, Clone, PartialEq, Serialize, Deserialize)]
#[serde(from = "SpinHamiltonianSerialize")]
#[serde(into = "SpinHamiltonianSerialize")]
pub struct SpinHamiltonian {
#[cfg(feature = "indexed_map_iterators")]
internal_map: IndexMap<PauliProduct, CalculatorFloat>,
#[cfg(not(feature = "indexed_map_iterators"))]
internal_map: HashMap<PauliProduct, CalculatorFloat>,
}
impl crate::MinSupportedVersion for SpinHamiltonian {}
#[cfg(feature = "json_schema")]
impl schemars::JsonSchema for SpinHamiltonian {
fn schema_name() -> std::borrow::Cow<'static, str> {
"struqture::spins::SpinHamiltonian".into()
}
fn json_schema(generator: &mut schemars::SchemaGenerator) -> schemars::Schema {
<SpinHamiltonianSerialize>::json_schema(generator)
}
}
#[derive(Debug, Clone, PartialEq, Deserialize, Serialize)]
#[cfg_attr(feature = "json_schema", derive(schemars::JsonSchema))]
struct SpinHamiltonianSerialize {
items: Vec<(PauliProduct, CalculatorFloat)>,
_struqture_version: StruqtureVersionSerializable,
}
impl From<SpinHamiltonianSerialize> for SpinHamiltonian {
fn from(value: SpinHamiltonianSerialize) -> Self {
let new_noise_op: SpinHamiltonian = value.items.into_iter().collect();
new_noise_op
}
}
impl From<SpinHamiltonian> for SpinHamiltonianSerialize {
fn from(value: SpinHamiltonian) -> Self {
let new_noise_op: Vec<(PauliProduct, CalculatorFloat)> = value.into_iter().collect();
let current_version = StruqtureVersionSerializable {
major_version: MINIMUM_STRUQTURE_VERSION.0,
minor_version: MINIMUM_STRUQTURE_VERSION.1,
};
Self {
items: new_noise_op,
_struqture_version: current_version,
}
}
}
impl<'a> OperateOnDensityMatrix<'a> for SpinHamiltonian {
type Index = PauliProduct;
type Value = CalculatorFloat;
type IteratorType = Iter<'a, Self::Index, Self::Value>;
type KeyIteratorType = Keys<'a, Self::Index, Self::Value>;
type ValueIteratorType = Values<'a, Self::Index, Self::Value>;
fn get(&self, key: &Self::Index) -> &Self::Value {
match self.internal_map.get(key) {
Some(value) => value,
None => &CalculatorFloat::ZERO,
}
}
fn iter(&'a self) -> Self::IteratorType {
self.internal_map.iter()
}
fn keys(&'a self) -> Self::KeyIteratorType {
self.internal_map.keys()
}
fn values(&'a self) -> Self::ValueIteratorType {
self.internal_map.values()
}
#[cfg(feature = "indexed_map_iterators")]
fn remove(&mut self, key: &Self::Index) -> Option<Self::Value> {
self.internal_map.shift_remove(key)
}
#[cfg(not(feature = "indexed_map_iterators"))]
fn remove(&mut self, key: &Self::Index) -> Option<Self::Value> {
self.internal_map.remove(key)
}
fn empty_clone(&self, capacity: Option<usize>) -> Self {
match capacity {
Some(cap) => Self::with_capacity(cap),
None => Self::new(),
}
}
fn set(
&mut self,
key: Self::Index,
value: Self::Value,
) -> Result<Option<Self::Value>, StruqtureError> {
if value != CalculatorFloat::ZERO {
Ok(self.internal_map.insert(key, value))
} else {
match self.internal_map.entry(key) {
#[cfg(feature = "indexed_map_iterators")]
Entry::Occupied(val) => Ok(Some(val.shift_remove())),
#[cfg(not(feature = "indexed_map_iterators"))]
Entry::Occupied(val) => Ok(Some(val.remove())),
Entry::Vacant(_) => Ok(None),
}
}
}
}
impl OperateOnState<'_> for SpinHamiltonian {
fn hermitian_conjugate(&self) -> Self {
self.clone()
}
}
impl OperateOnSpins<'_> for SpinHamiltonian {
fn number_spins(&self) -> usize {
self.current_number_spins()
}
fn current_number_spins(&self) -> usize {
let mut max_mode: usize = 0;
if !self.internal_map.is_empty() {
for key in self.internal_map.keys() {
if key.current_number_spins() > max_mode {
max_mode = key.current_number_spins()
}
}
}
max_mode
}
}
impl HermitianOperateOnSpins<'_> for SpinHamiltonian {}
impl ToSparseMatrixOperator<'_> for SpinHamiltonian {}
impl<'a> ToSparseMatrixSuperOperator<'a> for SpinHamiltonian {
fn sparse_matrix_superoperator_entries_on_row(
&'a self,
row: usize,
number_spins: usize,
) -> Result<std::collections::HashMap<usize, Complex64>, StruqtureError> {
<Self as ToSparseMatrixOperator>::sparse_matrix_superoperator_entries_on_row(
self,
row,
number_spins,
)
}
fn unitary_sparse_matrix_coo(&'a self) -> Result<crate::CooSparseMatrix, StruqtureError> {
self.sparse_matrix_coo(None)
}
fn sparse_lindblad_entries(
&'a self,
) -> Result<Vec<(CooSparseMatrix, CooSparseMatrix, Complex64)>, StruqtureError> {
let rate = Complex64::default();
let left: CooSparseMatrix = (vec![], (vec![], vec![]));
let right: CooSparseMatrix = (vec![], (vec![], vec![]));
Ok(vec![(left, right, rate)])
}
}
impl Default for SpinHamiltonian {
fn default() -> Self {
Self::new()
}
}
impl SpinHamiltonian {
pub fn new() -> Self {
SpinHamiltonian {
#[cfg(not(feature = "indexed_map_iterators"))]
internal_map: HashMap::new(),
#[cfg(feature = "indexed_map_iterators")]
internal_map: IndexMap::new(),
}
}
pub fn with_capacity(capacity: usize) -> Self {
Self {
#[cfg(not(feature = "indexed_map_iterators"))]
internal_map: HashMap::with_capacity(capacity),
#[cfg(feature = "indexed_map_iterators")]
internal_map: IndexMap::with_capacity(capacity),
}
}
pub fn separate_into_n_terms(
&self,
number_spins: usize,
) -> Result<(Self, Self), StruqtureError> {
let mut separated = Self::default();
let mut remainder = Self::default();
for (prod, val) in self.iter() {
if prod.len() == number_spins {
separated.add_operator_product(prod.clone(), val.clone())?;
} else {
remainder.add_operator_product(prod.clone(), val.clone())?;
}
}
Ok((separated, remainder))
}
}
impl TryFrom<SpinOperator> for SpinHamiltonian {
type Error = StruqtureError;
fn try_from(hamiltonian: SpinOperator) -> Result<Self, StruqtureError> {
let mut internal = SpinHamiltonian::new();
for (key, value) in hamiltonian.into_iter() {
if value.im != CalculatorFloat::ZERO {
return Err(StruqtureError::NonHermitianOperator {});
} else {
let pp = PauliProduct::get_key(&key);
internal.add_operator_product(pp, value.re)?;
}
}
Ok(internal)
}
}
impl ops::Neg for SpinHamiltonian {
type Output = SpinHamiltonian;
fn neg(self) -> Self {
let mut internal = self.internal_map.clone();
for key in self.keys() {
internal.insert(key.clone(), internal[key].clone() * -1.0);
}
SpinHamiltonian {
internal_map: internal,
}
}
}
impl<T, V> ops::Add<T> for SpinHamiltonian
where
T: IntoIterator<Item = (PauliProduct, V)>,
V: Into<CalculatorFloat>,
{
type Output = Self;
fn add(mut self, other: T) -> Self {
for (key, value) in other.into_iter() {
self.add_operator_product(key.clone(), Into::<CalculatorFloat>::into(value))
.expect("Internal bug in add_operator_product");
}
self
}
}
impl<T, V> ops::Sub<T> for SpinHamiltonian
where
T: IntoIterator<Item = (PauliProduct, V)>,
V: Into<CalculatorFloat>,
{
type Output = Self;
fn sub(mut self, other: T) -> Self {
for (key, value) in other.into_iter() {
self.add_operator_product(key.clone(), Into::<CalculatorFloat>::into(value) * -1.0)
.expect("Internal bug in add_operator_product");
}
self
}
}
impl ops::Mul<CalculatorFloat> for SpinHamiltonian {
type Output = Self;
fn mul(self, other: CalculatorFloat) -> Self {
let mut internal = self.internal_map.clone();
for key in self.keys() {
internal.insert(key.clone(), internal[key].clone() * other.clone());
}
SpinHamiltonian {
internal_map: internal,
}
}
}
impl ops::Mul<CalculatorComplex> for SpinHamiltonian {
type Output = SpinOperator;
fn mul(self, other: CalculatorComplex) -> Self::Output {
let mut new_out = SpinOperator::with_capacity(self.len());
for (key, val) in self {
new_out
.set(key, other.clone() * val)
.expect("Internal bug in set");
}
new_out
}
}
impl ops::Mul<SpinHamiltonian> for SpinHamiltonian {
type Output = SpinOperator;
fn mul(self, other: SpinHamiltonian) -> Self::Output {
let mut spin_op = SpinOperator::with_capacity(self.len() * other.len());
for (pps, vals) in self {
for (ppo, valo) in other.iter() {
let (ppp, coefficient) = pps.clone() * ppo.clone();
let coefficient =
Into::<CalculatorComplex>::into(valo) * vals.clone() * coefficient;
spin_op
.add_operator_product(ppp, coefficient)
.expect("Internal bug in add_operator_product");
}
}
spin_op
}
}
impl IntoIterator for SpinHamiltonian {
type Item = (PauliProduct, CalculatorFloat);
#[cfg(not(feature = "indexed_map_iterators"))]
type IntoIter = std::collections::hash_map::IntoIter<PauliProduct, CalculatorFloat>;
#[cfg(feature = "indexed_map_iterators")]
type IntoIter = indexmap::map::IntoIter<PauliProduct, CalculatorFloat>;
fn into_iter(self) -> Self::IntoIter {
self.internal_map.into_iter()
}
}
impl<'a> IntoIterator for &'a SpinHamiltonian {
type Item = (&'a PauliProduct, &'a CalculatorFloat);
type IntoIter = Iter<'a, PauliProduct, CalculatorFloat>;
fn into_iter(self) -> Self::IntoIter {
self.internal_map.iter()
}
}
impl FromIterator<(PauliProduct, CalculatorFloat)> for SpinHamiltonian {
fn from_iter<I: IntoIterator<Item = (PauliProduct, CalculatorFloat)>>(iter: I) -> Self {
let mut so = SpinHamiltonian::new();
for (pp, cc) in iter {
so.add_operator_product(pp, cc)
.expect("Internal bug in add_operator_product");
}
so
}
}
impl Extend<(PauliProduct, CalculatorFloat)> for SpinHamiltonian {
fn extend<I: IntoIterator<Item = (PauliProduct, CalculatorFloat)>>(&mut self, iter: I) {
for (pp, cc) in iter {
self.add_operator_product(pp, cc)
.expect("Internal bug in add_operator_product");
}
}
}
impl fmt::Display for SpinHamiltonian {
fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result {
let mut output = "SpinHamiltonian{\n".to_string();
for (key, val) in self.iter() {
writeln!(output, "{key}: {val},")?;
}
output.push('}');
write!(f, "{output}")
}
}
impl JordanWignerSpinToFermion for SpinHamiltonian {
type Output = FermionHamiltonian;
fn jordan_wigner(&self) -> Self::Output {
let mut out = FermionOperator::new();
for pp in self.keys() {
let mut new_term = pp.jordan_wigner();
new_term = new_term * self.get(pp);
out = out + new_term;
}
let filtered_fermion_operator = FermionOperator::from_iter(out.into_iter().filter(|x| {
x.0.is_natural_hermitian() || x.0.creators().min() < x.0.annihilators().min()
}));
FermionHamiltonian::try_from(filtered_fermion_operator)
.expect("Failed to convert FermionOperator into FermionHamiltonian.")
}
}
#[cfg(test)]
mod test {
use super::*;
use serde_test::{assert_tokens, Configure, Token};
#[test]
fn sh_from_shs() {
let pp: PauliProduct = PauliProduct::new().z(0);
let shs = SpinHamiltonianSerialize {
items: vec![(pp.clone(), 0.5.into())],
_struqture_version: StruqtureVersionSerializable {
major_version: 1,
minor_version: 0,
},
};
let mut sh = SpinHamiltonian::new();
sh.set(pp, CalculatorFloat::from(0.5)).unwrap();
assert_eq!(SpinHamiltonian::from(shs.clone()), sh);
assert_eq!(SpinHamiltonianSerialize::from(sh), shs);
}
#[test]
fn clone_partial_eq() {
let pp: PauliProduct = PauliProduct::new().z(0);
let shs = SpinHamiltonianSerialize {
items: vec![(pp, 0.5.into())],
_struqture_version: StruqtureVersionSerializable {
major_version: 1,
minor_version: 0,
},
};
assert_eq!(shs.clone(), shs);
let pp_1: PauliProduct = PauliProduct::new().z(0);
let shs_1 = SpinHamiltonianSerialize {
items: vec![(pp_1, 0.5.into())],
_struqture_version: StruqtureVersionSerializable {
major_version: 1,
minor_version: 0,
},
};
let pp_2: PauliProduct = PauliProduct::new().z(2);
let shs_2 = SpinHamiltonianSerialize {
items: vec![(pp_2, 0.5.into())],
_struqture_version: StruqtureVersionSerializable {
major_version: 1,
minor_version: 0,
},
};
assert!(shs_1 == shs);
assert!(shs == shs_1);
assert!(shs_2 != shs);
assert!(shs != shs_2);
}
#[test]
fn debug() {
let pp: PauliProduct = PauliProduct::new().z(0);
let shs = SpinHamiltonianSerialize {
items: vec![(pp, 0.5.into())],
_struqture_version: StruqtureVersionSerializable {
major_version: 1,
minor_version: 0,
},
};
assert_eq!(
format!("{shs:?}"),
"SpinHamiltonianSerialize { items: [(PauliProduct { items: [(0, Z)] }, Float(0.5))], _struqture_version: StruqtureVersionSerializable { major_version: 1, minor_version: 0 } }"
);
}
#[test]
fn serde_readable() {
let pp = PauliProduct::new().x(0);
let shs = SpinHamiltonianSerialize {
items: vec![(pp, 0.5.into())],
_struqture_version: StruqtureVersionSerializable {
major_version: 1,
minor_version: 0,
},
};
assert_tokens(
&shs.readable(),
&[
Token::Struct {
name: "SpinHamiltonianSerialize",
len: 2,
},
Token::Str("items"),
Token::Seq { len: Some(1) },
Token::Tuple { len: 2 },
Token::Str("0X"),
Token::F64(0.5),
Token::TupleEnd,
Token::SeqEnd,
Token::Str("_struqture_version"),
Token::Struct {
name: "StruqtureVersionSerializable",
len: 2,
},
Token::Str("major_version"),
Token::U32(1),
Token::Str("minor_version"),
Token::U32(0),
Token::StructEnd,
Token::StructEnd,
],
);
}
#[test]
fn serde_compact() {
let pp = PauliProduct::new().x(0);
let shs = SpinHamiltonianSerialize {
items: vec![(pp, 0.5.into())],
_struqture_version: StruqtureVersionSerializable {
major_version: 1,
minor_version: 0,
},
};
assert_tokens(
&shs.compact(),
&[
Token::Struct {
name: "SpinHamiltonianSerialize",
len: 2,
},
Token::Str("items"),
Token::Seq { len: Some(1) },
Token::Tuple { len: 2 },
Token::Seq { len: Some(1) },
Token::Tuple { len: 2 },
Token::U64(0),
Token::UnitVariant {
name: "SingleSpinOperator",
variant: "X",
},
Token::TupleEnd,
Token::SeqEnd,
Token::NewtypeVariant {
name: "CalculatorFloat",
variant: "Float",
},
Token::F64(0.5),
Token::TupleEnd,
Token::SeqEnd,
Token::Str("_struqture_version"),
Token::Struct {
name: "StruqtureVersionSerializable",
len: 2,
},
Token::Str("major_version"),
Token::U32(1),
Token::Str("minor_version"),
Token::U32(0),
Token::StructEnd,
Token::StructEnd,
],
);
}
}