naagrh commited on
Commit
eef6913
·
1 Parent(s): 31fb90f

Fix PLUMED: use session-aware API for generate/preview; add update note on Protein Loading

Browse files
ambermdflow/html/index.html CHANGED
@@ -53,7 +53,9 @@
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  <div id="protein-loading" class="tab-content active">
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  <div class="card">
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  <h2><i class="fas fa-dna"></i> Protein Structure Input</h2>
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-
 
 
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  <div class="input-methods">
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  <div class="method-option">
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  <h3><i class="fas fa-file-upload"></i> Upload PDB File</h3>
 
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  <div id="protein-loading" class="tab-content active">
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  <div class="card">
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  <h2><i class="fas fa-dna"></i> Protein Structure Input</h2>
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+ <p class="card-description" style="margin-bottom: 0.5rem; padding: 0.5rem 0.75rem; background: #e8f4fd; border-left: 4px solid #007bff; border-radius: 4px; font-size: 0.95rem;">
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+ <i class="fas fa-info-circle"></i> <strong>Update:</strong> PLUMED section is fixed — saving <code>plumed.dat</code> and generating/previewing simulation files now work correctly.
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+ </p>
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  <div class="input-methods">
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  <div class="method-option">
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  <h3><i class="fas fa-file-upload"></i> Upload PDB File</h3>
ambermdflow/js/plumed.js CHANGED
@@ -2599,9 +2599,9 @@ ves: VES ARG=distance SIGMA=0.1 PACE=500`,
2599
  }
2600
 
2601
  async generatePlumedFiles() {
2602
- // Check if plumed.dat exists
2603
  try {
2604
- const checkResponse = await fetch('/output/plumed.dat', { method: 'HEAD' });
2605
  if (!checkResponse.ok) {
2606
  alert('Please save a PLUMED file (plumed.dat) first before generating simulation files.');
2607
  return;
@@ -2678,9 +2678,9 @@ ves: VES ARG=distance SIGMA=0.1 PACE=500`,
2678
  }
2679
 
2680
  async previewPlumedFiles() {
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- // Use the same preview functionality as section 6, but include plumed.dat
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  try {
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- const resp = await fetch('/api/get-generated-files');
2684
  const data = await resp.json();
2685
  if (!data.success) {
2686
  alert('❌ Error: ' + (data.error || 'Unable to load files'));
 
2599
  }
2600
 
2601
  async generatePlumedFiles() {
2602
+ // Check if plumed.dat exists via API (use plumedApiFetch so same session as save is used)
2603
  try {
2604
+ const checkResponse = await plumedApiFetch('/api/get-file?filename=plumed.dat', { cache: 'no-store' });
2605
  if (!checkResponse.ok) {
2606
  alert('Please save a PLUMED file (plumed.dat) first before generating simulation files.');
2607
  return;
 
2678
  }
2679
 
2680
  async previewPlumedFiles() {
2681
+ // Use the same preview functionality as section 6, but include plumed.dat (use session-aware API)
2682
  try {
2683
+ const resp = await plumedApiFetch('/api/get-generated-files');
2684
  const data = await resp.json();
2685
  if (!data.success) {
2686
  alert('❌ Error: ' + (data.error || 'Unable to load files'));