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VAMDC CLI Quick Start

Get the vamdc command-line tool working in seconds!

Installation

pip install pyVAMDC

Essential Commands

Get Data Nodes

vamdc get nodes
vamdc get nodes --format csv --output nodes.csv

Get Chemical Species

vamdc get species
vamdc get species --format csv --output species.csv
vamdc get species --filter-by "name:CO"

Get Spectral Lines

# Find InChIKey for a species first
vamdc get species --format csv | grep "CO" | cut -d, -f4

# Then query lines (example with CO)
vamdc get lines \
  --inchikey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N \
  --lambda-min=3000 \
  --lambda-max=5000

# Export as CSV or JSON
vamdc get lines \
  --inchikey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N \
  --lambda-min=3000 --lambda-max=5000 \
  --format csv --output lines.csv

Manage Cache

vamdc cache status    # View cache info
vamdc cache clear     # Clear all cached data
vamdc get nodes --refresh  # Force refresh from server

Common Workflows

1. Download Everything

vamdc get nodes --format csv --output nodes.csv
vamdc get species --format excel --output species.xlsx

2. Query Multiple Species

# Save species list
vamdc get species --format csv --output species.csv

# Get InChIKeys and query each one
for inchikey in $(grep "^Alkali Metal" species.csv | cut -d, -f4); do
  vamdc get lines --inchikey=$inchikey --lambda-min=1000 --lambda-max=10000 --format csv --output "${inchikey}.csv"
done

3. Filter Species

vamdc get species --filter-by "speciesType:molecule" --format csv --output molecules.csv
vamdc get species --filter-by "name:H2O" --format csv --output h2o.csv

All Command Options

vamdc --help                    # Show main help
vamdc get --help                # Show get commands
vamdc get nodes --help          # Show nodes command options
vamdc get species --help        # Show species command options
vamdc get lines --help          # Show lines command options
vamdc cache --help              # Show cache commands

Output Formats

Command Formats
vamdc get nodes table, json, csv
vamdc get species table, json, csv, parquet, excel
vamdc get lines xsams, json, csv, table

Tips

  • First time is slower: First query caches data (takes 5-30s), subsequent queries are instant
  • Verbose mode: Use -v flag for detailed logging: vamdc -v get nodes
  • Save to file: Use -o flag to save: vamdc get species -o data.csv
  • Force refresh: Use --refresh to ignore cache: vamdc get nodes --refresh
  • Custom cache location: Use --cache-dir: vamdc --cache-dir /tmp/cache get species

Troubleshooting

# Check if everything is installed correctly
vamdc --help

# View cache status
vamdc cache status

# Clear cache if issues occur
vamdc cache clear

# See detailed errors
vamdc -v get species

Next Steps

  • Read CLI_GUIDE.md for comprehensive documentation
  • Read CLI_SUMMARY.md for technical implementation details
  • Check README.md for library information

Need help? Run any command with --help or check the full documentation.