bio-seq-algos 0.1.15

"bio-seq-algos", Library of Algorithms about Biological Sequences
Documentation 
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use utils::*;

pub struct SaPartFuncMats {
  pub sa_forward_part_func_mat_4_char_align: PartFuncMat,
  pub sa_forward_part_func_mat_4_gap_1: PartFuncMat,
  pub sa_forward_part_func_mat_4_gap_2: PartFuncMat,
  pub sa_backward_part_func_mat_4_char_align: PartFuncMat,
  pub sa_backward_part_func_mat_4_gap_1: PartFuncMat,
  pub sa_backward_part_func_mat_4_gap_2: PartFuncMat,
}

impl SaPartFuncMats {
  fn new(slp: &(usize, usize)) -> SaPartFuncMats {
    let zero_mat = vec![vec![0.; slp.1 + 2]; slp.0 + 2];
    SaPartFuncMats {
      sa_forward_part_func_mat_4_char_align: zero_mat.clone(),
      sa_forward_part_func_mat_4_gap_1: zero_mat.clone(),
      sa_forward_part_func_mat_4_gap_2: zero_mat.clone(),
      sa_backward_part_func_mat_4_char_align: zero_mat.clone(),
      sa_backward_part_func_mat_4_gap_1: zero_mat.clone(),
      sa_backward_part_func_mat_4_gap_2: zero_mat,
    }
  }
}

impl SaScoringParams {
  pub fn new(ca_sm: &CaScoreMat, opening_gap_penalty: SaScore, extending_gap_penalty: SaScore) -> SaScoringParams {
    SaScoringParams {
      ca_sm: ca_sm.clone(),
      opening_gap_penalty: opening_gap_penalty,
      extending_gap_penalty: extending_gap_penalty,
    }
  }
}

pub fn durbin_algo(seq_pair: &SsPair, sa_sps: &SaScoringParams) -> ProbMat {
  let seq_len_pair = (seq_pair.0.len(), seq_pair.1.len());
  let (sa_part_func_mats, scale_param_mat) = get_sa_part_func_mats_and_scale_param_mat(seq_pair, &seq_len_pair, sa_sps);
  get_char_align_prob_mat(&sa_part_func_mats, &seq_len_pair, &scale_param_mat)
}

pub fn get_cap_mat_and_unaligned_char_psp(sp: &SsPair, sa_sps: &SaScoringParams) -> (ProbMat, ProbSeqPair) {
  let slp = (sp.0.len(), sp.1.len());
  let cap_mat = durbin_algo(sp, sa_sps);
  let mut ucp_seq_pair = (vec![0.; slp.0], vec![0.; slp.1]);
  for i in 0 .. slp.0 {
    let mut ucp = 1.;
    for j in 0 .. slp.1 {
      ucp -= cap_mat[i][j];
    }
    ucp_seq_pair.0[i] = ucp;
  }
  for j in 0 .. slp.1 {
    let mut ucp = 1.;
    for i in 0 .. slp.0 {
      ucp -= cap_mat[i][j];
    }
    ucp_seq_pair.1[j] = ucp;
  }
  (cap_mat, ucp_seq_pair)
}

pub fn get_sa_part_func_mats_and_scale_param_mat(sp: &SsPair, slp: &(usize, usize), sa_sps: &SaScoringParams) -> (SaPartFuncMats, ScaleParamMat) {
  let mut exp_sa_sps = sa_sps.clone();
  for ca_score in exp_sa_sps.ca_sm.values_mut() {
    *ca_score = ca_score.exp();
  };
  exp_sa_sps.opening_gap_penalty = exp_sa_sps.opening_gap_penalty.exp();
  exp_sa_sps.extending_gap_penalty = exp_sa_sps.extending_gap_penalty.exp();
  let mut sa_part_func_mats = SaPartFuncMats::new(slp);
  let mut scale_param_mat = vec![vec![0.; slp.1 + 2]; slp.0 + 2];
  scale_param_mat[0][0] = 1.;
  sa_part_func_mats.sa_forward_part_func_mat_4_char_align[0][0] = 1.;
  for i in 1 .. slp.0 + 1 {
    scale_param_mat[i][0] = exp_sa_sps.opening_gap_penalty * get_egp(&(1, i - 1), sa_sps).exp();
    sa_part_func_mats.sa_forward_part_func_mat_4_gap_1[i][0] = 1.;
  }
  for i in 1 .. slp.1 + 1 {
    scale_param_mat[0][i] = exp_sa_sps.opening_gap_penalty * get_egp(&(1, i - 1), sa_sps).exp();
    sa_part_func_mats.sa_forward_part_func_mat_4_gap_2[0][i] = 1.;
  }
  for i in 1 .. slp.0 + 2 {
    for j in 1 .. slp.1 + 2 {
      let ca_score = if i == slp.0 + 1 && j == slp.1 + 1 {
        1.
      } else if i == slp.0 + 1 || j == slp.1 + 1 {
        0.
      } else {
        exp_sa_sps.ca_sm[&(sp.0[i - 1], sp.1[j - 1])]
      };
      let mut scale_param = 0.;
      let forward_part_func = (sa_part_func_mats.sa_forward_part_func_mat_4_char_align[i - 1][j - 1] + sa_part_func_mats.sa_forward_part_func_mat_4_gap_1[i - 1][j - 1] + sa_part_func_mats.sa_forward_part_func_mat_4_gap_2[i - 1][j - 1]) * ca_score;
      scale_param += forward_part_func;
      sa_part_func_mats.sa_forward_part_func_mat_4_char_align[i][j] = forward_part_func;
      if i < slp.0 + 1 && j < slp.1 + 1 {
        let forward_part_func = sa_part_func_mats.sa_forward_part_func_mat_4_char_align[i - 1][j] * exp_sa_sps.opening_gap_penalty + sa_part_func_mats.sa_forward_part_func_mat_4_gap_1[i - 1][j] * exp_sa_sps.extending_gap_penalty;
        scale_param += forward_part_func;
        sa_part_func_mats.sa_forward_part_func_mat_4_gap_1[i][j] = forward_part_func;
        let forward_part_func = sa_part_func_mats.sa_forward_part_func_mat_4_char_align[i][j - 1] * exp_sa_sps.opening_gap_penalty + sa_part_func_mats.sa_forward_part_func_mat_4_gap_2[i][j - 1] * exp_sa_sps.extending_gap_penalty;
        scale_param += forward_part_func;
        sa_part_func_mats.sa_forward_part_func_mat_4_gap_2[i][j] = forward_part_func;
      }
      scale_param_mat[i][j] = scale_param;
      sa_part_func_mats.sa_forward_part_func_mat_4_char_align[i][j] /= scale_param;
      if i < slp.0 + 1 && j < slp.1 + 1 {
        sa_part_func_mats.sa_forward_part_func_mat_4_gap_1[i][j] /= scale_param;
        sa_part_func_mats.sa_forward_part_func_mat_4_gap_2[i][j] /= scale_param;
      }
    }
  }
  sa_part_func_mats.sa_backward_part_func_mat_4_char_align[slp.0 + 1][slp.1 + 1] = 1. / scale_param_mat[slp.0 + 1][slp.1 + 1];
  for i in 0 .. slp.0 {
    sa_part_func_mats.sa_forward_part_func_mat_4_gap_1[i][slp.1 + 1] = exp_sa_sps.opening_gap_penalty * get_egp(&(i, slp.0 - 1), sa_sps).exp() / scale_param_mat[i][slp.1 + 1];
  }
  for i in 0 .. slp.1 {
    sa_part_func_mats.sa_forward_part_func_mat_4_gap_1[slp.0 + 1][i] = exp_sa_sps.opening_gap_penalty * get_egp(&(i, slp.1 - 1), sa_sps).exp() / scale_param_mat[slp.0 + 1][i];
  }
  for i in (0 .. slp.0 + 1).rev() {
    for j in (0 .. slp.1 + 1).rev() {
      let ca_score = if i == slp.0 && j == slp.1 {
        1.
      } else if i == slp.0 || j == slp.1 {
        0.
      } else {
        exp_sa_sps.ca_sm[&(sp.0[i], sp.1[j])]
      };
      let scale_param = scale_param_mat[i][j];
      sa_part_func_mats.sa_backward_part_func_mat_4_char_align[i][j] = (sa_part_func_mats.sa_backward_part_func_mat_4_char_align[i + 1][j + 1] * ca_score + (sa_part_func_mats.sa_backward_part_func_mat_4_gap_1[i + 1][j] + sa_part_func_mats.sa_backward_part_func_mat_4_gap_2[i][j + 1]) * exp_sa_sps.opening_gap_penalty) / scale_param;
      if i > 0 && j > 0 {
        sa_part_func_mats.sa_backward_part_func_mat_4_gap_1[i][j] = (sa_part_func_mats.sa_backward_part_func_mat_4_char_align[i + 1][j + 1] * ca_score + sa_part_func_mats.sa_backward_part_func_mat_4_gap_1[i + 1][j] * exp_sa_sps.extending_gap_penalty) / scale_param;
        sa_part_func_mats.sa_backward_part_func_mat_4_gap_2[i][j] = (sa_part_func_mats.sa_backward_part_func_mat_4_char_align[i + 1][j + 1] * ca_score + sa_part_func_mats.sa_backward_part_func_mat_4_gap_2[i][j + 1] * exp_sa_sps.extending_gap_penalty) / scale_param;
      }
    }
  }
  (sa_part_func_mats, scale_param_mat)
}

fn get_char_align_prob_mat(sa_part_func_mats: &SaPartFuncMats, slp: &(usize, usize), scale_param_mat: &ScaleParamMat) -> ProbMat {
  let mut cap_mat = vec![vec![0.; slp.1]; slp.0];
  for i in 1 .. slp.0 + 1 {
    for j in 1 .. slp.1 + 1 {
      cap_mat[i - 1][j - 1] = scale_param_mat[i][j] * sa_part_func_mats.sa_forward_part_func_mat_4_char_align[i][j] * sa_part_func_mats.sa_backward_part_func_mat_4_char_align[i][j];
    }
  }
  cap_mat
}

fn get_egp(pp: &PosPair, sa_sps: &SaScoringParams) -> SaScore {
  (pp.1 + 1 - pp.0) as SaScore * sa_sps.extending_gap_penalty
}