use super::{MixedIndex, MixedProduct, OperateOnMixedSystems};
use crate::{ModeIndex, OperateOnDensityMatrix, OperateOnState, SpinIndex, StruqtureError};
use qoqo_calculator::{CalculatorComplex, CalculatorFloat};
use serde::{Deserialize, Serialize};
use std::fmt::{self, Write};
use std::iter::{FromIterator, IntoIterator};
use std::ops;
use indexmap::map::{Entry, Iter};
use indexmap::IndexMap;
#[derive(Debug, Clone, PartialEq, Serialize, Deserialize)]
#[serde(try_from = "MixedOperatorSerialize")]
#[serde(into = "MixedOperatorSerialize")]
pub struct MixedOperator {
internal_map: IndexMap<MixedProduct, CalculatorComplex>,
n_spins: usize,
n_bosons: usize,
n_fermions: usize,
}
impl crate::SerializationSupport for MixedOperator {
fn struqture_type() -> crate::StruqtureType {
crate::StruqtureType::MixedOperator
}
}
#[cfg(feature = "json_schema")]
impl schemars::JsonSchema for MixedOperator {
fn schema_name() -> std::borrow::Cow<'static, str> {
"MixedOperator".into()
}
fn json_schema(generator: &mut schemars::SchemaGenerator) -> schemars::Schema {
<MixedOperatorSerialize>::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 MixedOperatorSerialize {
items: Vec<(MixedProduct, CalculatorFloat, CalculatorFloat)>,
n_spins: usize,
n_bosons: usize,
n_fermions: usize,
serialisation_meta: crate::StruqtureSerialisationMeta,
}
impl TryFrom<MixedOperatorSerialize> for MixedOperator {
type Error = StruqtureError;
fn try_from(value: MixedOperatorSerialize) -> Result<Self, Self::Error> {
let target_serialisation_meta =
<Self as crate::SerializationSupport>::target_serialisation_meta();
crate::check_can_be_deserialised(&target_serialisation_meta, &value.serialisation_meta)?;
let mut new_noise_op = MixedOperator::new(value.n_spins, value.n_bosons, value.n_fermions);
for (key, real, imag) in value.items.iter() {
let _ =
new_noise_op.add_operator_product(key.clone(), CalculatorComplex::new(real, imag));
}
Ok(new_noise_op)
}
}
impl From<MixedOperator> for MixedOperatorSerialize {
fn from(value: MixedOperator) -> Self {
let serialisation_meta = crate::SerializationSupport::struqture_serialisation_meta(&value);
let new_noise_op: Vec<(MixedProduct, CalculatorFloat, CalculatorFloat)> = value
.clone()
.into_iter()
.map(|(key, val)| (key, val.re, val.im))
.collect();
Self {
items: new_noise_op,
n_spins: value.n_spins,
n_bosons: value.n_bosons,
n_fermions: value.n_fermions,
serialisation_meta,
}
}
}
impl<'a> OperateOnDensityMatrix<'a> for MixedOperator {
type Index = MixedProduct;
type Value = CalculatorComplex;
fn get(&self, key: &Self::Index) -> &Self::Value {
match self.internal_map.get(key) {
Some(value) => value,
None => &CalculatorComplex::ZERO,
}
}
fn iter(&'a self) -> impl ExactSizeIterator<Item = (&'a Self::Index, &'a Self::Value)> {
self.internal_map.iter()
}
fn keys(&'a self) -> impl ExactSizeIterator<Item = &'a Self::Index> {
self.internal_map.keys()
}
fn values(&'a self) -> impl ExactSizeIterator<Item = &'a Self::Value> {
self.internal_map.values()
}
fn remove(&mut self, key: &Self::Index) -> Option<Self::Value> {
self.internal_map.shift_remove(key)
}
fn empty_clone(&self, capacity: Option<usize>) -> Self {
match capacity {
Some(cap) => Self::with_capacity(self.n_spins, self.n_bosons, self.n_fermions, cap),
None => Self::new(self.n_spins, self.n_bosons, self.n_fermions),
}
}
fn set(
&mut self,
key: Self::Index,
value: Self::Value,
) -> Result<Option<Self::Value>, StruqtureError> {
if key.spins().len() != self.n_spins
|| key.bosons().len() != self.n_bosons
|| key.fermions().len() != self.n_fermions
{
return Err(StruqtureError::MismatchedNumberSubsystems {
target_number_spin_subsystems: self.n_spins,
target_number_boson_subsystems: self.n_bosons,
target_number_fermion_subsystems: self.n_fermions,
actual_number_spin_subsystems: key.spins().len(),
actual_number_boson_subsystems: key.bosons().len(),
actual_number_fermion_subsystems: key.fermions().len(),
});
}
if value.re != CalculatorFloat::ZERO || value.im != CalculatorFloat::ZERO {
Ok(self.internal_map.insert(key, value))
} else {
match self.internal_map.entry(key) {
Entry::Occupied(val) => Ok(Some(val.shift_remove())),
Entry::Vacant(_) => Ok(None),
}
}
}
}
impl OperateOnState<'_> for MixedOperator {
fn hermitian_conjugate(&self) -> Self {
self.clone()
}
}
impl OperateOnMixedSystems<'_> for MixedOperator {
fn current_number_spins(&self) -> Vec<usize> {
let mut current_number_spins: Vec<usize> = (0..self.n_spins).map(|_| 0).collect();
for key in self.keys() {
for (index, s) in key.spins().enumerate() {
let maxk = s.current_number_spins();
if maxk > current_number_spins[index] {
current_number_spins[index] = maxk
}
}
}
current_number_spins
}
fn current_number_bosonic_modes(&self) -> Vec<usize> {
let mut number_bosons: Vec<usize> = (0..self.n_bosons).map(|_| 0).collect();
for key in self.keys() {
for (index, s) in key.bosons().enumerate() {
let maxk = s.current_number_modes();
if maxk > number_bosons[index] {
number_bosons[index] = maxk
}
}
}
number_bosons
}
fn current_number_fermionic_modes(&self) -> Vec<usize> {
let mut number_fermions: Vec<usize> = (0..self.n_fermions).map(|_| 0).collect();
for key in self.keys() {
for (index, s) in key.fermions().enumerate() {
let maxk = s.current_number_modes();
if maxk > number_fermions[index] {
number_fermions[index] = maxk
}
}
}
number_fermions
}
}
impl Default for MixedOperator {
fn default() -> Self {
Self::new(0, 0, 0)
}
}
impl MixedOperator {
pub fn new(n_spins: usize, n_bosons: usize, n_fermions: usize) -> Self {
MixedOperator {
internal_map: IndexMap::new(),
n_spins,
n_bosons,
n_fermions,
}
}
pub fn with_capacity(
n_spins: usize,
n_bosons: usize,
n_fermions: usize,
capacity: usize,
) -> Self {
Self {
internal_map: IndexMap::with_capacity(capacity),
n_spins,
n_bosons,
n_fermions,
}
}
#[cfg(feature = "struqture_1_export")]
pub fn to_struqture_1(
&self,
) -> Result<struqture_1::mixed_systems::MixedSystem, StruqtureError> {
let mut new_mixed_system = struqture_1::mixed_systems::MixedSystem::new(
vec![None; self.n_spins],
vec![None; self.n_bosons],
vec![None; self.n_fermions],
);
for (key, val) in self.iter() {
let one_key = key.to_struqture_1()?;
let _ = struqture_1::OperateOnDensityMatrix::set(
&mut new_mixed_system,
one_key,
val.clone(),
);
}
Ok(new_mixed_system)
}
#[cfg(feature = "struqture_1_import")]
pub fn from_struqture_1(
value: &struqture_1::mixed_systems::MixedSystem,
) -> Result<Self, StruqtureError> {
let mut new_operator = Self::new(
struqture_1::mixed_systems::OperateOnMixedSystems::current_number_spins(value).len(),
struqture_1::mixed_systems::OperateOnMixedSystems::current_number_bosonic_modes(value)
.len(),
struqture_1::mixed_systems::OperateOnMixedSystems::current_number_fermionic_modes(
value,
)
.len(),
);
for (key, val) in struqture_1::OperateOnDensityMatrix::iter(value) {
let self_key = MixedProduct::from_struqture_1(key)?;
let _ = new_operator.set(self_key, val.clone());
}
Ok(new_operator)
}
}
impl ops::Neg for MixedOperator {
type Output = MixedOperator;
fn neg(self) -> Self {
let mut internal = self.internal_map.clone();
let n_spins = self.n_spins;
let n_bosons = self.n_bosons;
let n_fermions = self.n_fermions;
for key in self.keys() {
internal.insert(key.clone(), internal[key].clone() * -1.0);
}
MixedOperator {
internal_map: internal,
n_spins,
n_bosons,
n_fermions,
}
}
}
impl<T, V> ops::Add<T> for MixedOperator
where
T: IntoIterator<Item = (MixedProduct, V)>,
V: Into<CalculatorComplex>,
{
type Output = Result<Self, StruqtureError>;
fn add(mut self, other: T) -> Self::Output {
for (key, value) in other.into_iter() {
self.add_operator_product(key.clone(), Into::<CalculatorComplex>::into(value))?;
}
Ok(self)
}
}
impl<T, V> ops::Sub<T> for MixedOperator
where
T: IntoIterator<Item = (MixedProduct, V)>,
V: Into<CalculatorComplex>,
{
type Output = Result<Self, StruqtureError>;
fn sub(mut self, other: T) -> Self::Output {
for (key, value) in other.into_iter() {
self.add_operator_product(key.clone(), Into::<CalculatorComplex>::into(value) * -1.0)?;
}
Ok(self)
}
}
impl<T> ops::Mul<T> for MixedOperator
where
T: Into<CalculatorComplex>,
{
type Output = Self;
fn mul(self, other: T) -> Self {
let other_cc = Into::<CalculatorComplex>::into(other);
let mut internal = self.internal_map.clone();
let n_spins = self.n_spins;
let n_bosons = self.n_bosons;
let n_fermions = self.n_fermions;
for key in self.keys() {
internal.insert(key.clone(), internal[key].clone() * other_cc.clone());
}
MixedOperator {
internal_map: internal,
n_spins,
n_bosons,
n_fermions,
}
}
}
impl ops::Mul<MixedOperator> for MixedOperator {
type Output = Result<MixedOperator, StruqtureError>;
fn mul(self, other: MixedOperator) -> Self::Output {
let mut op = MixedOperator::with_capacity(
self.n_spins,
self.n_bosons,
self.n_fermions,
self.len() * other.len(),
);
for (bps, vals) in self {
for (bpo, valo) in other.iter() {
let mixed_products = (bps.clone() * bpo.clone())?;
let coefficient = Into::<CalculatorComplex>::into(valo) * vals.clone();
for (b, coeff) in mixed_products {
op.add_operator_product(b, coefficient.clone() * coeff)?;
}
}
}
Ok(op)
}
}
impl IntoIterator for MixedOperator {
type Item = (MixedProduct, CalculatorComplex);
type IntoIter = indexmap::map::IntoIter<MixedProduct, CalculatorComplex>;
fn into_iter(self) -> Self::IntoIter {
self.internal_map.into_iter()
}
}
impl<'a> IntoIterator for &'a MixedOperator {
type Item = (&'a MixedProduct, &'a CalculatorComplex);
type IntoIter = Iter<'a, MixedProduct, CalculatorComplex>;
fn into_iter(self) -> Self::IntoIter {
self.internal_map.iter()
}
}
impl FromIterator<(MixedProduct, CalculatorComplex)> for MixedOperator {
fn from_iter<I: IntoIterator<Item = (MixedProduct, CalculatorComplex)>>(iter: I) -> Self {
let mut iterator = iter.into_iter();
match iterator.next() {
Some(first_element) => {
let spins = first_element.0.spins().len();
let bosons = first_element.0.bosons().len();
let fermions = first_element.0.fermions().len();
let mut slno = MixedOperator::new(spins, bosons, fermions);
slno.set(first_element.0, first_element.1)
.expect("Internal error in set");
for (pair, cc) in iterator {
slno.add_operator_product(pair, cc)
.expect("Internal error in add_operator_product");
}
slno
}
None => MixedOperator::new(0, 0, 0),
}
}
}
impl Extend<(MixedProduct, CalculatorComplex)> for MixedOperator {
fn extend<I: IntoIterator<Item = (MixedProduct, CalculatorComplex)>>(&mut self, iter: I) {
for (pp, cc) in iter {
self.add_operator_product(pp, cc)
.expect("Internal error in add_operator_product");
}
}
}
impl fmt::Display for MixedOperator {
fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result {
let mut output = "MixedOperator{\n".to_string();
for (key, val) in self.iter() {
writeln!(output, "{key}: {val},")?;
}
output.push('}');
write!(f, "{output}")
}
}
#[cfg(test)]
mod test {
use super::*;
use crate::bosons::BosonProduct;
use crate::fermions::FermionProduct;
use crate::spins::PauliProduct;
use crate::STRUQTURE_VERSION;
use serde_test::{assert_tokens, Configure, Token};
#[test]
fn so_from_sos() {
let pp: MixedProduct = MixedProduct::new(
[PauliProduct::new().z(2)],
[BosonProduct::new([0], [3]).unwrap()],
[FermionProduct::new([0], [2]).unwrap()],
)
.unwrap();
let sos = MixedOperatorSerialize {
items: vec![(pp.clone(), 0.5.into(), 0.0.into())],
n_spins: 1,
n_bosons: 1,
n_fermions: 1,
serialisation_meta: crate::StruqtureSerialisationMeta {
type_name: "MixedOperator".to_string(),
min_version: (2, 0, 0),
version: STRUQTURE_VERSION.to_string(),
},
};
let mut so = MixedOperator::new(1, 1, 1);
so.set(pp, CalculatorComplex::from(0.5)).unwrap();
assert_eq!(MixedOperator::try_from(sos.clone()).unwrap(), so);
assert_eq!(MixedOperatorSerialize::from(so), sos);
}
#[test]
fn clone_partial_eq() {
let pp: MixedProduct = MixedProduct::new(
[PauliProduct::new().z(2)],
[BosonProduct::new([0], [3]).unwrap()],
[FermionProduct::new([0], [2]).unwrap()],
)
.unwrap();
let sos = MixedOperatorSerialize {
items: vec![(pp, 0.5.into(), 0.0.into())],
n_spins: 1,
n_bosons: 1,
n_fermions: 1,
serialisation_meta: crate::StruqtureSerialisationMeta {
type_name: "MixedOperator".to_string(),
min_version: (2, 0, 0),
version: "2.0.0".to_string(),
},
};
assert_eq!(sos.clone(), sos);
let pp_1: MixedProduct = MixedProduct::new(
[PauliProduct::new().z(2)],
[BosonProduct::new([0], [3]).unwrap()],
[FermionProduct::new([0], [2]).unwrap()],
)
.unwrap();
let sos_1 = MixedOperatorSerialize {
items: vec![(pp_1, 0.5.into(), 0.0.into())],
n_spins: 1,
n_bosons: 1,
n_fermions: 1,
serialisation_meta: crate::StruqtureSerialisationMeta {
type_name: "MixedOperator".to_string(),
min_version: (2, 0, 0),
version: "2.0.0".to_string(),
},
};
let pp_2: MixedProduct = MixedProduct::new(
[PauliProduct::new().z(0)],
[BosonProduct::new([0], [3]).unwrap()],
[FermionProduct::new([0], [2]).unwrap()],
)
.unwrap();
let sos_2 = MixedOperatorSerialize {
items: vec![(pp_2, 0.5.into(), 0.0.into())],
n_spins: 1,
n_bosons: 1,
n_fermions: 1,
serialisation_meta: crate::StruqtureSerialisationMeta {
type_name: "MixedOperator".to_string(),
min_version: (2, 0, 0),
version: "2.0.0".to_string(),
},
};
assert!(sos_1 == sos);
assert!(sos == sos_1);
assert!(sos_2 != sos);
assert!(sos != sos_2);
}
#[test]
fn debug() {
let pp: MixedProduct = MixedProduct::new(
[PauliProduct::new().z(2)],
[BosonProduct::new([0], [3]).unwrap()],
[FermionProduct::new([0], [2]).unwrap()],
)
.unwrap();
let sos = MixedOperatorSerialize {
items: vec![(pp, 0.5.into(), 0.0.into())],
n_spins: 1,
n_bosons: 1,
n_fermions: 1,
serialisation_meta: crate::StruqtureSerialisationMeta {
type_name: "MixedOperator".to_string(),
min_version: (2, 0, 0),
version: "2.0.0".to_string(),
},
};
assert_eq!(
format!("{sos:?}"),
"MixedOperatorSerialize { items: [(MixedProduct { spins: [PauliProduct { items: [(2, Z)] }], bosons: [BosonProduct { creators: [0], annihilators: [3] }], fermions: [FermionProduct { creators: [0], annihilators: [2] }] }, Float(0.5), Float(0.0))], n_spins: 1, n_bosons: 1, n_fermions: 1, serialisation_meta: StruqtureSerialisationMeta { type_name: \"MixedOperator\", min_version: (2, 0, 0), version: \"2.0.0\" } }"
);
}
#[test]
fn serde_readable() {
let pp: MixedProduct = MixedProduct::new(
[PauliProduct::new().z(2)],
[BosonProduct::new([0], [3]).unwrap()],
[FermionProduct::new([0], [2]).unwrap()],
)
.unwrap();
let sos = MixedOperatorSerialize {
items: vec![(pp, 0.5.into(), 0.0.into())],
n_spins: 1,
n_bosons: 1,
n_fermions: 1,
serialisation_meta: crate::StruqtureSerialisationMeta {
type_name: "MixedOperator".to_string(),
min_version: (2, 0, 0),
version: "2.0.0".to_string(),
},
};
assert_tokens(
&sos.readable(),
&[
Token::Struct {
name: "MixedOperatorSerialize",
len: 5,
},
Token::Str("items"),
Token::Seq { len: Some(1) },
Token::Tuple { len: 3 },
Token::Str("S2Z:Bc0a3:Fc0a2:"),
Token::F64(0.5),
Token::F64(0.0),
Token::TupleEnd,
Token::SeqEnd,
Token::Str("n_spins"),
Token::U64(1),
Token::Str("n_bosons"),
Token::U64(1),
Token::Str("n_fermions"),
Token::U64(1),
Token::Str("serialisation_meta"),
Token::Struct {
name: "StruqtureSerialisationMeta",
len: 3,
},
Token::Str("type_name"),
Token::Str("MixedOperator"),
Token::Str("min_version"),
Token::Tuple { len: 3 },
Token::U64(2),
Token::U64(0),
Token::U64(0),
Token::TupleEnd,
Token::Str("version"),
Token::Str("2.0.0"),
Token::StructEnd,
Token::StructEnd,
],
);
}
#[test]
fn serde_compact() {
let pp: MixedProduct = MixedProduct::new(
[PauliProduct::new().z(2)],
[BosonProduct::new([0], [3]).unwrap()],
[FermionProduct::new([0], [2]).unwrap()],
)
.unwrap();
let sos = MixedOperatorSerialize {
items: vec![(pp, 0.5.into(), 0.0.into())],
n_spins: 1,
n_bosons: 1,
n_fermions: 1,
serialisation_meta: crate::StruqtureSerialisationMeta {
type_name: "MixedOperator".to_string(),
min_version: (2, 0, 0),
version: "2.0.0".to_string(),
},
};
assert_tokens(
&sos.compact(),
&[
Token::Struct {
name: "MixedOperatorSerialize",
len: 5,
},
Token::Str("items"),
Token::Seq { len: Some(1) },
Token::Tuple { len: 3 },
Token::Tuple { len: 3 },
Token::Seq { len: Some(1) },
Token::Seq { len: Some(1) },
Token::Tuple { len: 2 },
Token::U64(2),
Token::UnitVariant {
name: "SinglePauliOperator",
variant: "Z",
},
Token::TupleEnd,
Token::SeqEnd,
Token::SeqEnd,
Token::Seq { len: Some(1) },
Token::Tuple { len: 2 },
Token::Seq { len: Some(1) },
Token::U64(0),
Token::SeqEnd,
Token::Seq { len: Some(1) },
Token::U64(3),
Token::SeqEnd,
Token::TupleEnd,
Token::SeqEnd,
Token::Seq { len: Some(1) },
Token::Tuple { len: 2 },
Token::Seq { len: Some(1) },
Token::U64(0),
Token::SeqEnd,
Token::Seq { len: Some(1) },
Token::U64(2),
Token::SeqEnd,
Token::TupleEnd,
Token::SeqEnd,
Token::TupleEnd,
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("n_spins"),
Token::U64(1),
Token::Str("n_bosons"),
Token::U64(1),
Token::Str("n_fermions"),
Token::U64(1),
Token::Str("serialisation_meta"),
Token::Struct {
name: "StruqtureSerialisationMeta",
len: 3,
},
Token::Str("type_name"),
Token::Str("MixedOperator"),
Token::Str("min_version"),
Token::Tuple { len: 3 },
Token::U64(2),
Token::U64(0),
Token::U64(0),
Token::TupleEnd,
Token::Str("version"),
Token::Str("2.0.0"),
Token::StructEnd,
Token::StructEnd,
],
);
}
}