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//!这个模块是用来输出各种标准格式的, 包括
//!
//!wannier90_hr.dat 格式
//!
//!wannier90_centres.xyz 格式
//!
//!wannier90.win 格式
//!
//!整合的 wannier90 格式
//!
//!POSCAR 格式
use crate::{Model,gen_kmesh,comm};
use std::fs::File;
use std::io::Write;
use num_complex::Complex;
use ndarray::linalg::kron;
use ndarray::*;
use ndarray::prelude::*;
use ndarray::concatenate;
use ndarray_linalg::*;
use std::f64::consts::PI;
use ndarray_linalg::{Eigh, UPLO};
use ndarray_linalg::conjugate;
use rayon::prelude::*;
use std::ops::AddAssign;
use std::ops::MulAssign;
use crate::basis::find_R;
use crate::basis::index_R;

impl Model{
    pub fn output_hr(&self,path:&str,seedname:&str){
        //! 这个函数是用来将 tight-binding 模型输出到 wannier90_hr.dat 格式的

        let n_R=self.hamR.len();//length of hamR
        let mut hr_name=String::new();
        hr_name.push_str(path);
        hr_name.push_str(seedname);
        hr_name.push_str("_hr.dat");
        let mut file=File::create(hr_name).expect("Unable to BAND.dat");
        writeln!(file,"{}",self.nsta);
        writeln!(file,"{}",n_R);
        let mut weight=String::new();
        let lines=n_R.div_euclid(15);
        let last_lines=n_R%15;
        if lines != 0{
            for i in 0..lines{
                weight.push_str("1 1 1 1 1 1 1 1 1 1 1 1 1 1 1\n");
            }
        }
        for i in 0..last_lines{
            weight.push_str("1 ");
        }
        writeln!(file,"{}",weight);
        //接下来我们进行数据的写入
        match self.dim_r{
            0 =>{
                let mut s=String::new();
                let ham=self.ham.slice(s![0,..,..]);
                for orb_1 in 0..self.nsta{
                    for orb_2 in 0..self.nsta{
                        s.push_str(&format!("0    0    0    {:11.8}    {:11.8}\n",ham[[orb_1,orb_2]].re,ham[[orb_1,orb_2]].im));
                    }
                }
            },
            1 =>{
                let max_R1=self.hamR.outer_iter().map(|x| x[[0]].abs()).max().unwrap();
                let mut s=String::new();
                for i in -max_R1..max_R1{
                    let R_exist=find_R(&self.hamR,&array![i as isize]);
                    let R_inv_exist=find_R(&self.hamR,&(-array![i as isize]));
                    if R_exist{
                        let r0=index_R(&self.hamR,&array![i as isize]);
                        let ham=self.ham.slice(s![r0,..,..]);
                        for orb_1 in 0..self.nsta{
                            for orb_2 in 0..self.nsta{
                                s.push_str(&format!("{}    0    0    {:11.8}    {:11.8}\n",i,ham[[orb_1,orb_2]].re,ham[[orb_1,orb_2]].im));
                            }
                        }
                    }
                    else if R_inv_exist{
                        let r0=index_R(&self.hamR,&(-array![i as isize]));
                        let ham=self.ham.slice(s![r0,..,..]);
                        for orb_1 in 0..self.nsta{
                            for orb_2 in 0..self.nsta{
                                s.push_str(&format!("{}    0    0    {:>11.8}    {:>11.8}\n",i,ham[[orb_1,orb_2]].re,-ham[[orb_1,orb_2]].im));

                            }
                        }
                    }
                }
                writeln!(file,"{}",s);
            
            },
            2 =>{
                let max_values = self.hamR.fold_axis(Axis(0), isize::min_value(), |max, &value| *max.max(&value.abs()));
                let mut s=String::new();
                for R1 in -max_values[[0]]..max_values[[0]]{
                    for R2 in -max_values[[1]]..max_values[[1]]{
                        let R_exist=find_R(&self.hamR,&array![R1 as isize,R2 as isize]);
                        let R_inv_exist=find_R(&self.hamR,&(-array![R1 as isize,R2 as isize]));
                        if R_exist{
                            let r0=index_R(&self.hamR,&array![R1 as isize,R2 as isize]);
                            let ham=self.ham.slice(s![r0,..,..]);
                            for orb_1 in 0..self.nsta{
                                for orb_2 in 0..self.nsta{
                                    s.push_str(&format!("{:>3}  {:>3}    0    {:>11.8}    {:>11.8}\n",R1,R2,ham[[orb_1,orb_2]].re,ham[[orb_1,orb_2]].im));
                                }
                            }
                        }
                        else if R_inv_exist{
                            let r0=index_R(&self.hamR,&(-array![R1 as isize, R2 as isize]));
                            let ham=self.ham.slice(s![r0,..,..]);
                            for orb_1 in 0..self.nsta{
                                for orb_2 in 0..self.nsta{
                                    s.push_str(&format!("{:>3}  {:>3}    0    {:>11.8}    {:>11.8}\n",R1,R2,ham[[orb_1,orb_2]].re,-ham[[orb_1,orb_2]].im));

                                }
                            }
                        }
                    }
                }
                writeln!(file,"{}",s);
            },
            3=>{
                let max_values = self.hamR.fold_axis(Axis(0), isize::min_value(), |max, &value| *max.max(&value.abs()));
                let mut s=String::new();
                for R1 in -max_values[[0]]..max_values[[0]]{
                    for R2 in -max_values[[1]]..max_values[[1]]{
                        for R3 in -max_values[[2]]..max_values[[2]]{
                            let R_exist=find_R(&self.hamR,&array![R1 as isize,R2 as isize,R3 as isize]);
                            let R_inv_exist=find_R(&self.hamR,&(-array![R1 as isize,R2 as isize,R3 as isize]));
                            if R_exist{
                                let r0=index_R(&self.hamR,&array![R1 as isize,R2 as isize]);
                                let ham=self.ham.slice(s![r0,..,..]);
                                for orb_1 in 0..self.nsta{
                                    for orb_2 in 0..self.nsta{
                                        s.push_str(&format!("{:3}  {:3}  {:3}    {:11.8}    {:11.8}\n",R1,R2,R3,ham[[orb_1,orb_2]].re,ham[[orb_1,orb_2]].im));
                                    }
                                }
                            }
                            else if R_inv_exist{
                                let r0=index_R(&self.hamR,&(-array![R1 as isize, R2 as isize,R3 as isize]));
                                let ham=self.ham.slice(s![r0,..,..]);
                                for orb_1 in 0..self.nsta{
                                    for orb_2 in 0..self.nsta{
                                        s.push_str(&format!("{:3}  {:3}  {:3}    {:11.8}    {:11.8}\n",R1,R2,R3,ham[[orb_1,orb_2]].re,-ham[[orb_1,orb_2]].im));
                                    }
                                }
                            }
                        }
                    }
                }
                writeln!(file,"{}",s);
            },
            _=> todo!(),
        }
    }

    pub fn output_win(&self,path:&str,seedname:&str){
        //!这个是用来输出 win 文件的. 这里projection 需要人为添加, 因为没有保存相关的projection 数据
    }

}