templates/generative.html

{% extends "base.html" %}
{% block content %}

<div class="container py-4">

  <!-- Header -->
  <div class="mb-4">
    <h2 class="fw-bold mb-2">Pure Fuel Generator</h2>
    <p class="page-intro-text mb-0">
      Generate candidate pure fuel molecules using molecular evolution and rank them based on
      cetane number, fuel property constraints, and optional YSI minimisation.
    </p>
  </div>

  <!-- Alerts -->
  {% if error %}
  <div class="alert alert-danger">
    <i class="bi bi-exclamation-triangle me-2"></i>{{ error }}
  </div>
  {% endif %}

  {% if info %}
  <div class="alert alert-info">
    <i class="bi bi-info-circle me-2"></i>{{ info }}
  </div>
  {% endif %}

  <!-- Configuration form -->
  <div class="card card-metric p-4 mb-4">
    <h5 class="fw-bold mb-3">Generator Configuration</h5>

    <form method="POST" id="gen-form">

      <div class="row g-3 align-items-end">

        <div class="col-md-4">
          <label class="form-label fw-semibold">Optimisation Mode</label>
          <select name="mode" id="generatorMode" class="form-select" onchange="toggleTargetCN()">
            <option value="target">Target a specific CN</option>
            <option value="maximize">Maximise CN</option>
          </select>
          <div class="form-text">
            Choose whether to target a desired CN value or search for the highest CN candidates.
          </div>
        </div>

        <div class="col-md-3" id="targetCnBox">
          <label class="form-label fw-semibold">Target CN</label>
          <input type="number" step="0.01" name="target_cn" class="form-control" value="50">
          <div class="form-text">
            CN above 40 is recommended for easier optimisation.
          </div>
        </div>

        <div class="col-md-3">
          <label class="form-label fw-semibold">YSI Objective</label>
          <div class="form-check mt-2">
            <input class="form-check-input" type="checkbox" name="minimize_ysi" id="minimizeYsi">
            <label class="form-check-label" for="minimizeYsi">
              Minimise YSI
            </label>
          </div>
          <div class="form-text">
            Enables multi-objective optimisation for CN and smoke tendency.
          </div>
        </div>

        <div class="col-md-2 text-md-end">
          <button id="generate-btn" type="submit" class="btn btn-primary w-100">
            Run Generator
          </button>
        </div>

      </div>

      <div id="loading" class="mt-3" style="display:none;">
        <div class="spinner-border text-primary" role="status"></div>
        <span class="ms-2">Generating molecules… this may take a few minutes.</span>
      </div>

    </form>
  </div>

  <!-- Run summary -->
  {% if run_info %}
  <div class="card card-metric p-4 mb-4">
    <h5 class="fw-bold mb-3">Generation Summary</h5>

    <div class="row g-3">

      <div class="col-md-3">
        <div class="border rounded-3 p-3 bg-white">
          <p class="text-muted small mb-1">Mode</p>
          <h6 class="fw-bold mb-0">{{ run_info.mode }}</h6>
        </div>
      </div>

      <div class="col-md-2">
        <div class="border rounded-3 p-3 bg-white">
          <p class="text-muted small mb-1">Target CN</p>
          <h6 class="fw-bold mb-0">
            {% if run_info.target_cn is not none %}
              {{ run_info.target_cn }}
            {% else %}
              —
            {% endif %}
          </h6>
        </div>
      </div>

      <div class="col-md-3">
        <div class="border rounded-3 p-3 bg-white">
          <p class="text-muted small mb-1">Objective</p>
          <h6 class="fw-bold mb-0">{{ run_info.objective }}</h6>
        </div>
      </div>

      <div class="col-md-2">
        <div class="border rounded-3 p-3 bg-white">
          <p class="text-muted small mb-1">Filtered</p>
          <h6 class="fw-bold mb-0">{{ run_info.n_final }}</h6>
        </div>
      </div>

      <div class="col-md-2">
        <div class="border rounded-3 p-3 bg-white">
          <p class="text-muted small mb-1">Pareto</p>
          <h6 class="fw-bold mb-0">{{ run_info.n_pareto }}</h6>
        </div>
      </div>

    </div>
  </div>
  {% endif %}

  <!-- Final filtered candidates -->
  {% if final_table %}
  <div class="card card-metric p-4 mb-4">
    <div class="d-flex justify-content-between align-items-center flex-wrap gap-2 mb-3">
      <div>
        <h5 class="fw-bold mb-1">Best Candidates with Property Constraints</h5>
        <p class="text-muted small mb-0">
          Candidates ranked after applying fuel property filters.
        </p>
      </div>

      <form method="POST" action="{{ url_for('download_generator_result', result_type='final') }}">
        <input type="hidden" name="results_data" value='{{ final_records | tojson }}'>
        <button type="submit" class="btn btn-outline-success btn-sm">
          Download Filtered CSV
        </button>
      </form>
    </div>

    <div class="table-responsive app-table-wrap molecule-table">
      {{ final_table | safe }}
    </div>
  </div>
  {% endif %}

  <!-- Unfiltered candidates -->
  {% if unfiltered_table %}
  <div class="card card-metric p-4 mb-4">
    <div class="d-flex justify-content-between align-items-center flex-wrap gap-2 mb-3">
      <div>
        <h5 class="fw-bold mb-1">Best Candidates without Property Constraints</h5>
        <p class="text-muted small mb-0">
          Raw generated candidates before final property filtering.
        </p>
      </div>

      <form method="POST" action="{{ url_for('download_generator_result', result_type='unfiltered') }}">
        <input type="hidden" name="results_data" value='{{ unfiltered_records | tojson }}'>
        <button type="submit" class="btn btn-outline-secondary btn-sm">
          Download Unfiltered CSV
        </button>
      </form>
    </div>

    <div class="table-responsive app-table-wrap molecule-table">
      {{ unfiltered_table | safe }}
    </div>
  </div>
  {% endif %}

  <!-- Pareto front -->
  {% if pareto_table %}
  <div class="card card-metric p-4 mb-4">
    <div class="d-flex justify-content-between align-items-center flex-wrap gap-2 mb-3">
      <div>
        <h5 class="fw-bold mb-1">Pareto Front</h5>
        <p class="text-muted small mb-0">
          Non-dominated candidates balancing CN accuracy and low YSI.
        </p>
      </div>

      <form method="POST" action="{{ url_for('download_generator_result', result_type='pareto') }}">
        <input type="hidden" name="results_data" value='{{ pareto_records | tojson }}'>
        <button type="submit" class="btn btn-outline-primary btn-sm">
          Download Pareto CSV
        </button>
      </form>
    </div>

    <div class="table-responsive app-table-wrap molecule-table">
      {{ pareto_table | safe }}
    </div>
  </div>
  {% endif %}

</div>

<script>
const form = document.getElementById("gen-form");
const btn = document.getElementById("generate-btn");
const loading = document.getElementById("loading");

function toggleTargetCN() {
  const mode = document.getElementById("generatorMode").value;
  const targetBox = document.getElementById("targetCnBox");

  if (mode === "maximize") {
    targetBox.style.display = "none";
  } else {
    targetBox.style.display = "block";
  }
}

document.addEventListener("DOMContentLoaded", toggleTargetCN);

if (form) {
  form.addEventListener("submit", () => {
    btn.disabled = true;
    loading.style.display = "block";
  });
}
</script>

{% endblock %}