azulene-studio 0.5.0__tar.gz

azulene_studio-0.5.0/API_Reference.md

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+# Azulene Studio
+
+## How to download Azulene Studio
+
+```shellscript
+pip install azulene-studio
+```
+
+## CLI Commands (macOS, Linux, Windows)
+
+```shellscript
+# Auth
+python -m azulene.main login
+# then it asks:
+# Your email:  example@gmail.com
+# Your password:  (hidden)
+
+python -m azulene.main whoami
+python -m azulene.main logout
+
+# Jobs
+python -m azulene.main jobs submit --job-type xtb_calculation --input-data '{"numbers":[1,1], "positions":[[0,0,0],[0.74,0,0]]}'
+python -m azulene.main jobs submit-batch-jobs --job-type generate_conformers --input-data "[{\"smiles\": \"CCO\", \"num_conformers\": 5}, {\"smiles\": \"CCCO\", \"num_conformers\": 3}, {\"smiles\": \"CCcndO\", \"num_conformers\": 2}]"
+
+
+python -m azulene.main jobs cancel --job-id abc123
+python -m azulene.main jobs get --job-id abc123
+
+python -m azulene.main jobs get-jobs                    # last 5 jobs
+python -m azulene.main jobs get-jobs --all              # all jobs
+python -m azulene.main jobs get-jobs --limit 10         # last 10 jobs
+python -m azulene.main jobs get-jobs --job-type generate_conformers --status completed
+python -m azulene.main jobs get-jobs --start-date 2025-12-01T00:00:00Z --end-date 2025-12-05T00:00:00Z
+
+python -m azulene.main jobs check-running-jobs
+python -m azulene.main jobs get-job-types
+python -m azulene.main jobs check-health
+```
+
+
+### **Help Commands**
+
+```bash
+python -m azulene.main --help
+
+python -m azulene.main jobs --help
+
+python -m azulene.main jobs submit --help
+```
+
+### **Auth Commands**
+
+```bash
+# Log in
+python -m azulene.main login
+# then it asks:
+# Your email:  (hidden)
+# Your password:  (hidden)
+
+# Who am I (get current user info)
+python -m azulene.main whoami
+
+# Log out
+python -m azulene.main logout
+```
+
+---
+
+### **Job Commands**
+
+```bash
+# Submit a job (CMD)
+python -m azulene.main jobs submit --job-type generate_conformers --input-data "{\"smiles\": \"CCO\", \"num_conformers\": 5}"
+
+# Submit a job (Git Bash / WSL / Linux / macOS)
+python -m azulene.main jobs submit --job-type generate_conformers --input-data '{"smiles": "CCO", "num_conformers": 5}'
+
+# Submit a job (Powershell)
+python -m azulene.main jobs submit --job-type generate_conformers --input-data '{\"smiles\": \"CCO\", \"num_conformers\": 5}'
+
+# List all jobs
+python -m azulene.main jobs get-jobs
+
+# Get a specific job by ID
+python -m azulene.main jobs get --job-id YOUR_JOB_ID
+
+# Cancel a job by ID
+python -m azulene.main jobs cancel --job-id YOUR_JOB_ID
+
+# Poll modal for job status/results
+python -m azulene.main jobs check-running-jobs
+
+# Health check
+python -m azulene.main jobs check-health
+
+# Get available job types 
+python -m azulene.main jobs get-job-types
+```
+
+---
+
+
+## Examples of Using the Library in Python
+
+```shellscript
+from azulene import auth, jobs
+
+# 1. Log in
+auth.login(email="test@example.com", password="pass123")
+
+# Log in (more secure)
+email = os.getenv("AZULENE_EMAIL")
+password = os.getenv("AZULENE_PASSWORD")
+auth.login(email, password)
+
+# 2. Who am I
+print(auth.whoami())
+
+# 3. Submit a job
+jobs.submit(job_type="generate_conformers",input_data={"smiles": "CCO", "num_conformers": 5}) # dict
+# jobs.submit(job_type="generate_conformers",input_data='{"smiles": "CCO", "num_conformers": 5}') # str
+
+# 4. List all jobs
+print(jobs.get_jobs())
+
+# 5. Get a specific job
+print(jobs.get(job_id="YOUR_JOB_ID"))
+
+# 6. Cancel a job
+print(jobs.cancel(job_id="YOUR_JOB_ID"))
+
+# 7. Poll job statuses
+jobs.poll()
+
+# 8. Health check
+print(jobs.check_health())
+
+# 9. Get job types
+print(jobs.get_job_types())
+
+# 10. Log out
+auth.logout()
+```
+
+
+### Tips
+
+* Wrap JSON input in single quotes (`'{"key": "value"}'`) and escape double quotes on Windows if needed.
+* Replace `YOUR_JOB_ID` with actual returned IDs from `list-all` or `submit`.
+
+---
+
+
+
+**All Rights Reserved**