use super::{DecoherenceOperator, DecoherenceProduct, PauliProduct, SpinOperator};
use crate::fermions::FermionOperator;
use crate::mappings::JordanWignerSpinToFermion;
use crate::spins::{PlusMinusProduct, SpinHamiltonian};
use crate::{
OperateOnDensityMatrix, OperateOnState, StruqtureError, StruqtureVersionSerializable,
SymmetricIndex,
};
use num_complex::Complex64;
use qoqo_calculator::{CalculatorComplex, CalculatorFloat};
use serde::{Deserialize, Serialize};
#[cfg(feature = "indexed_map_iterators")]
use indexmap::map::{Entry, Iter, Keys, Values};
#[cfg(feature = "indexed_map_iterators")]
use indexmap::IndexMap;
#[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 = "PlusMinusOperatorSerialize")]
#[serde(into = "PlusMinusOperatorSerialize")]
pub struct PlusMinusOperator {
#[cfg(feature = "indexed_map_iterators")]
internal_map: IndexMap<PlusMinusProduct, CalculatorComplex>,
#[cfg(not(feature = "indexed_map_iterators"))]
internal_map: HashMap<PlusMinusProduct, CalculatorComplex>,
}
impl crate::MinSupportedVersion for PlusMinusOperator {
fn min_supported_version() -> (usize, usize, usize) {
(1, 1, 0)
}
}
#[cfg(feature = "json_schema")]
impl schemars::JsonSchema for PlusMinusOperator {
fn schema_name() -> std::borrow::Cow<'static, str> {
"PlusMinusOperator".into()
}
fn json_schema(generator: &mut schemars::SchemaGenerator) -> schemars::Schema {
<PlusMinusOperatorSerialize>::json_schema(generator)
}
}
#[derive(Debug, Clone, PartialEq, Deserialize, Serialize)]
#[cfg_attr(feature = "json_schema", derive(schemars::JsonSchema))]
#[cfg_attr(feature = "json_schema", schemars(deny_unknown_fields))]
struct PlusMinusOperatorSerialize {
items: Vec<(PlusMinusProduct, CalculatorFloat, CalculatorFloat)>,
_struqture_version: StruqtureVersionSerializable,
}
impl From<PlusMinusOperatorSerialize> for PlusMinusOperator {
fn from(value: PlusMinusOperatorSerialize) -> Self {
let new_noise_op: PlusMinusOperator = value
.items
.into_iter()
.map(|(key, real, imag)| (key, CalculatorComplex { re: real, im: imag }))
.collect();
new_noise_op
}
}
impl From<PlusMinusOperator> for PlusMinusOperatorSerialize {
fn from(value: PlusMinusOperator) -> Self {
let new_noise_op: Vec<(PlusMinusProduct, CalculatorFloat, CalculatorFloat)> = value
.into_iter()
.map(|(key, val)| (key, val.re, val.im))
.collect();
let current_version = StruqtureVersionSerializable {
major_version: 1,
minor_version: 1,
};
Self {
items: new_noise_op,
_struqture_version: current_version,
}
}
}
impl<'a> OperateOnDensityMatrix<'a> for PlusMinusOperator {
type IteratorType = Iter<'a, Self::Index, Self::Value>;
type KeyIteratorType = Keys<'a, Self::Index, Self::Value>;
type ValueIteratorType = Values<'a, Self::Index, Self::Value>;
type Value = CalculatorComplex;
type Index = PlusMinusProduct;
fn get(&self, key: &Self::Index) -> &Self::Value {
match self.internal_map.get(key) {
Some(value) => value,
None => &CalculatorComplex::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 != CalculatorComplex::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 PlusMinusOperator {
fn hermitian_conjugate(&self) -> Self {
let mut new_operator = Self::with_capacity(self.len());
for (pauli_product, value) in self.iter() {
let (new_boson_product, prefactor) = pauli_product.hermitian_conjugate();
new_operator
.add_operator_product(new_boson_product, value.conj() * prefactor)
.expect("Internal bug in add_operator_product");
}
new_operator
}
}
impl Default for PlusMinusOperator {
fn default() -> Self {
Self::new()
}
}
impl PlusMinusOperator {
pub fn new() -> Self {
PlusMinusOperator {
#[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 {
PlusMinusOperator {
#[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<(PlusMinusOperator, PlusMinusOperator), StruqtureError> {
let mut separated = PlusMinusOperator::new();
let mut remainder = PlusMinusOperator::new();
for (prod, val) in self.iter() {
if prod.iter().len() == number_spins {
separated.add_operator_product(prod.clone(), val.clone())?;
} else {
remainder.add_operator_product(prod.clone(), val.clone())?;
}
}
Ok((separated, remainder))
}
}
impl From<PlusMinusOperator> for SpinOperator {
fn from(value: PlusMinusOperator) -> Self {
let mut new_operator = SpinOperator::with_capacity(2 * value.len());
for (product, val) in value.into_iter() {
let transscribed_vector: Vec<(PauliProduct, Complex64)> = product.into();
for (transscribed_product, prefactor) in transscribed_vector {
new_operator
.add_operator_product(transscribed_product, val.clone() * prefactor)
.expect("Unexpected error adding operators. Internal struqture error");
}
}
new_operator
}
}
impl From<SpinOperator> for PlusMinusOperator {
fn from(value: SpinOperator) -> Self {
let mut new_operator = PlusMinusOperator::with_capacity(2 * value.len());
for (product, val) in value.into_iter() {
let transscribed_vector: Vec<(PlusMinusProduct, Complex64)> = product.into();
for (transscribed_product, prefactor) in transscribed_vector {
new_operator
.add_operator_product(transscribed_product, val.clone() * prefactor)
.expect("Unexpected error adding operators. Internal struqture error");
}
}
new_operator
}
}
impl From<PlusMinusOperator> for DecoherenceOperator {
fn from(value: PlusMinusOperator) -> Self {
let mut new_operator = DecoherenceOperator::with_capacity(2 * value.len());
for (product, val) in value.into_iter() {
let transscribed_vector: Vec<(DecoherenceProduct, Complex64)> = product.into();
for (transscribed_product, prefactor) in transscribed_vector {
new_operator
.add_operator_product(transscribed_product, val.clone() * prefactor)
.expect("Unexpected error adding operators. Internal struqture error");
}
}
new_operator
}
}
impl From<DecoherenceOperator> for PlusMinusOperator {
fn from(value: DecoherenceOperator) -> Self {
let mut new_operator = PlusMinusOperator::with_capacity(2 * value.len());
for (product, val) in value.into_iter() {
let transscribed_vector: Vec<(PlusMinusProduct, Complex64)> = product.into();
for (transscribed_product, prefactor) in transscribed_vector {
new_operator
.add_operator_product(transscribed_product, val.clone() * prefactor)
.expect("Unexpected error adding operators. Internal struqture error");
}
}
new_operator
}
}
impl TryFrom<PlusMinusOperator> for SpinHamiltonian {
type Error = StruqtureError;
fn try_from(value: PlusMinusOperator) -> Result<Self, Self::Error> {
let tmp_operator = SpinOperator::from(value).truncate(1e-16);
SpinHamiltonian::try_from(tmp_operator)
}
}
impl From<SpinHamiltonian> for PlusMinusOperator {
fn from(value: SpinHamiltonian) -> Self {
let mut new_operator = PlusMinusOperator::with_capacity(2 * value.len());
for (product, val) in value.into_iter() {
let transscribed_vector: Vec<(PlusMinusProduct, Complex64)> = product.into();
for (transscribed_product, prefactor) in transscribed_vector {
new_operator
.add_operator_product(
transscribed_product,
CalculatorComplex::from(val.clone()) * prefactor,
)
.expect("Unexpected error adding operators. Internal struqture error");
}
}
new_operator.truncate(1e-16)
}
}
impl ops::Neg for PlusMinusOperator {
type Output = PlusMinusOperator;
fn neg(self) -> Self {
#[cfg(not(feature = "indexed_map_iterators"))]
let mut internal = HashMap::with_capacity(self.len());
#[cfg(feature = "indexed_map_iterators")]
let mut internal = IndexMap::with_capacity(self.len());
for (key, val) in self {
internal.insert(key.clone(), val.neg());
}
PlusMinusOperator {
internal_map: internal,
}
}
}
impl<T, V> ops::Add<T> for PlusMinusOperator
where
T: IntoIterator<Item = (PlusMinusProduct, V)>,
V: Into<CalculatorComplex>,
{
type Output = Self;
fn add(mut self, other: T) -> Self {
for (key, value) in other.into_iter() {
self.add_operator_product(key.clone(), Into::<CalculatorComplex>::into(value))
.expect("Internal bug in add_operator_product");
}
self
}
}
impl<T, V> ops::Sub<T> for PlusMinusOperator
where
T: IntoIterator<Item = (PlusMinusProduct, V)>,
V: Into<CalculatorComplex>,
{
type Output = Self;
fn sub(mut self, other: T) -> Self {
for (key, value) in other.into_iter() {
self.add_operator_product(key.clone(), Into::<CalculatorComplex>::into(value) * -1.0)
.expect("Internal bug in add_operator_product");
}
self
}
}
impl<T> ops::Mul<T> for PlusMinusOperator
where
T: Into<CalculatorComplex>,
{
type Output = Self;
fn mul(self, other: T) -> Self {
let other_cc = Into::<CalculatorComplex>::into(other);
#[cfg(not(feature = "indexed_map_iterators"))]
let mut internal = HashMap::with_capacity(self.len());
#[cfg(feature = "indexed_map_iterators")]
let mut internal = IndexMap::with_capacity(self.len());
for (key, val) in self {
internal.insert(key, val * other_cc.clone());
}
PlusMinusOperator {
internal_map: internal,
}
}
}
impl IntoIterator for PlusMinusOperator {
type Item = (PlusMinusProduct, CalculatorComplex);
#[cfg(not(feature = "indexed_map_iterators"))]
type IntoIter = std::collections::hash_map::IntoIter<PlusMinusProduct, CalculatorComplex>;
#[cfg(feature = "indexed_map_iterators")]
type IntoIter = indexmap::map::IntoIter<PlusMinusProduct, CalculatorComplex>;
fn into_iter(self) -> Self::IntoIter {
self.internal_map.into_iter()
}
}
impl<'a> IntoIterator for &'a PlusMinusOperator {
type Item = (&'a PlusMinusProduct, &'a CalculatorComplex);
type IntoIter = Iter<'a, PlusMinusProduct, CalculatorComplex>;
fn into_iter(self) -> Self::IntoIter {
self.internal_map.iter()
}
}
impl FromIterator<(PlusMinusProduct, CalculatorComplex)> for PlusMinusOperator {
fn from_iter<I: IntoIterator<Item = (PlusMinusProduct, CalculatorComplex)>>(iter: I) -> Self {
let mut so = PlusMinusOperator::new();
for (pp, cc) in iter {
so.add_operator_product(pp, cc)
.expect("Internal bug in add_operator_product");
}
so
}
}
impl Extend<(PlusMinusProduct, CalculatorComplex)> for PlusMinusOperator {
fn extend<I: IntoIterator<Item = (PlusMinusProduct, CalculatorComplex)>>(&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 PlusMinusOperator {
fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result {
let mut output = "PlusMinusOperator{\n".to_string();
for (key, val) in self.iter() {
writeln!(output, "{key}: {val},")?;
}
output.push('}');
write!(f, "{output}")
}
}
impl JordanWignerSpinToFermion for PlusMinusOperator {
type Output = FermionOperator;
fn jordan_wigner(&self) -> Self::Output {
let mut out = FermionOperator::new();
for pmp in self.keys() {
out = out + pmp.jordan_wigner() * self.get(pmp);
}
out
}
}
#[cfg(test)]
mod test {
use super::*;
use serde_test::{assert_tokens, Configure, Token};
#[test]
fn so_from_sos() {
let pp: PlusMinusProduct = PlusMinusProduct::new().z(0);
let sos = PlusMinusOperatorSerialize {
items: vec![(pp.clone(), 0.5.into(), 0.0.into())],
_struqture_version: StruqtureVersionSerializable {
major_version: 1,
minor_version: 1,
},
};
let mut so = PlusMinusOperator::new();
so.set(pp, CalculatorComplex::from(0.5)).unwrap();
assert_eq!(PlusMinusOperator::from(sos.clone()), so);
assert_eq!(PlusMinusOperatorSerialize::from(so), sos);
}
#[test]
fn clone_partial_eq() {
let pp: PlusMinusProduct = PlusMinusProduct::new().z(0);
let sos = PlusMinusOperatorSerialize {
items: vec![(pp, 0.5.into(), 0.0.into())],
_struqture_version: StruqtureVersionSerializable {
major_version: 1,
minor_version: 1,
},
};
assert_eq!(sos.clone(), sos);
let pp_1: PlusMinusProduct = PlusMinusProduct::new().z(0);
let sos_1 = PlusMinusOperatorSerialize {
items: vec![(pp_1, 0.5.into(), 0.0.into())],
_struqture_version: StruqtureVersionSerializable {
major_version: 1,
minor_version: 1,
},
};
let pp_2: PlusMinusProduct = PlusMinusProduct::new().z(2);
let sos_2 = PlusMinusOperatorSerialize {
items: vec![(pp_2, 0.5.into(), 0.0.into())],
_struqture_version: StruqtureVersionSerializable {
major_version: 1,
minor_version: 1,
},
};
assert!(sos_1 == sos);
assert!(sos == sos_1);
assert!(sos_2 != sos);
assert!(sos != sos_2);
}
#[test]
fn debug() {
let pp: PlusMinusProduct = PlusMinusProduct::new().z(0);
let sos = PlusMinusOperatorSerialize {
items: vec![(pp, 0.5.into(), 0.0.into())],
_struqture_version: StruqtureVersionSerializable {
major_version: 1,
minor_version: 1,
},
};
assert_eq!(
format!("{sos:?}"),
"PlusMinusOperatorSerialize { items: [(PlusMinusProduct { items: [(0, Z)] }, Float(0.5), Float(0.0))], _struqture_version: StruqtureVersionSerializable { major_version: 1, minor_version: 1 } }"
);
}
#[test]
fn serde_readable() {
let pp = PlusMinusProduct::new().plus(0);
let sos = PlusMinusOperatorSerialize {
items: vec![(pp, 0.5.into(), 0.0.into())],
_struqture_version: StruqtureVersionSerializable {
major_version: 1,
minor_version: 1,
},
};
assert_tokens(
&sos.readable(),
&[
Token::Struct {
name: "PlusMinusOperatorSerialize",
len: 2,
},
Token::Str("items"),
Token::Seq { len: Some(1) },
Token::Tuple { len: 3 },
Token::Str("0+"),
Token::F64(0.5),
Token::F64(0.0),
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(1),
Token::StructEnd,
Token::StructEnd,
],
);
}
#[test]
fn serde_compact() {
let pp = PlusMinusProduct::new().plus(0);
let sos = PlusMinusOperatorSerialize {
items: vec![(pp, 0.5.into(), 0.0.into())],
_struqture_version: StruqtureVersionSerializable {
major_version: 1,
minor_version: 1,
},
};
assert_tokens(
&sos.compact(),
&[
Token::Struct {
name: "PlusMinusOperatorSerialize",
len: 2,
},
Token::Str("items"),
Token::Seq { len: Some(1) },
Token::Tuple { len: 3 },
Token::Seq { len: Some(1) },
Token::Tuple { len: 2 },
Token::U64(0),
Token::UnitVariant {
name: "SinglePlusMinusOperator",
variant: "Plus",
},
Token::TupleEnd,
Token::SeqEnd,
Token::NewtypeVariant {
name: "CalculatorFloat",
variant: "Float",
},
Token::F64(0.5),
Token::NewtypeVariant {
name: "CalculatorFloat",
variant: "Float",
},
Token::F64(0.0),
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(1),
Token::StructEnd,
Token::StructEnd,
],
);
}
}