# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
#       http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.

from vaxrank.manufacturability import ManufacturabilityScores

def test_c_terminal_proline():
    scores = ManufacturabilityScores.from_amino_acids("A" * 6 + "P")
    assert scores.c_terminal_proline

    scores = ManufacturabilityScores.from_amino_acids("A" * 7)
    assert not scores.c_terminal_proline


def test_n_terminal_cysteine():
    scores = ManufacturabilityScores.from_amino_acids("C" + 6 * "A")
    assert scores.difficult_n_terminal_residue

    scores = ManufacturabilityScores.from_amino_acids(7 * "A")
    assert not scores.difficult_n_terminal_residue


def test_n_terminal_glutamic_acid():
    scores = ManufacturabilityScores.from_amino_acids("E" + 6 * "A")
    assert scores.difficult_n_terminal_residue

    scores = ManufacturabilityScores.from_amino_acids(7 * "A")
    assert not scores.difficult_n_terminal_residue


def test_n_terminal_glutamine():
    scores = ManufacturabilityScores.from_amino_acids("Q" + 6 * "A")
    assert scores.difficult_n_terminal_residue

    scores = ManufacturabilityScores.from_amino_acids(7 * "A")
    assert not scores.difficult_n_terminal_residue


def test_asp_pro_bond_count():
    scores = ManufacturabilityScores.from_amino_acids("A" * 7)
    assert scores.aspartate_proline_bond_count == 0

    scores = ManufacturabilityScores.from_amino_acids("DP" + "A" * 7 + "DP")
    assert scores.aspartate_proline_bond_count == 2


def test_cysteine_count():
    scores = ManufacturabilityScores.from_amino_acids("C" * 7)
    assert scores.cysteine_count == 7


def cterm_7mer_gravy_score():
    scores = ManufacturabilityScores.from_amino_acids("QLFY" + "A" * 7)
    # hydropathy of alanine is 1.8 from Kyte & Doolittle 1982
    assert scores.cterm_7mer_gravy_score == 1.8


def max_7mer_gravy_score():
    scores = ManufacturabilityScores.from_amino_acids("H" * 3 + "A" * 7)
    # hydropathy of alanine is 1.8, histidine is -3.2
    # from Kyte & Doolittle 1982
    assert scores.max_7mer_gravy_score == 1.8
