labfreed 0.2.5a22__tar.gz → 0.2.6__tar.gz

{labfreed-0.2.5a22 → labfreed-0.2.6}/LICENSE

@@ -1,21 +1,21 @@
-The MIT License (MIT)
-
-Copyright (c) 2025 Reto Thürer
-
-Permission is hereby granted, free of charge, to any person obtaining a copy
-of this software and associated documentation files (the "Software"), to deal
-in the Software without restriction, including without limitation the rights
-to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
-copies of the Software, and to permit persons to whom the Software is
-furnished to do so, subject to the following conditions:
-
-The above copyright notice and this permission notice shall be included in
-all copies or substantial portions of the Software.
-
-THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
-IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
-FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
-AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
-LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
-OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
-THE SOFTWARE.
+The MIT License (MIT)
+
+Copyright (c) 2025 Reto Thürer
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in
+all copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
+THE SOFTWARE.

{labfreed-0.2.5a22 → labfreed-0.2.6}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: labfreed
-Version: 0.2.5a22
+Version: 0.2.6
 Summary: Python implementation of LabFREED building blocks
 Author-email: Reto Thürer <thuerer.r@buchi.com>
 Requires-Python: >=3.11
@@ -27,6 +27,10 @@ Requires-Dist: pytest>=8.3.5 ; extra == "dev"
 Requires-Dist: pdoc>=15.0.1 ; extra == "dev"
 Requires-Dist: flit>=3.12.0 ; extra == "dev"
 Requires-Dist: ruff>=0.11.5 ; extra == "dev"
+Project-URL: Documentation, https://github.com/retothuerer/LabFREED?tab=readme-ov-file#readme
+Project-URL: Homepage, https://github.com/retothuerer/LabFREED
+Project-URL: Source, https://github.com/retothuerer/LabFREED
+Project-URL: Tracker, https://github.com/retothuerer/LabFREED/issues
 Provides-Extra: dev
 
 # LabFREED for Python
@@ -101,24 +105,24 @@ pac.print_validation_messages()
 >> Validation Results                                                                                                                   
 >> ┌───────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────┐
 >> │ **RECOMMENDATION** in id segment value bal500                                                                                     │
->> │ Characters 'a','l','b' should not be used., Characters SHOULD be limited to upper case letters (A-Z), numbers (0-9), '-' and '+'  │
+>> │ Characters 'l','b','a' should not be used., Characters SHOULD be limited to upper case letters (A-Z), numbers (0-9), '-' and '+'  │
 >> │                                                                                                                                   │
->> │ HTTPS://PAC.METTORIUS.COM/-MD/240:👉bal👈500/21:@1234                                                                             │
+>> │ HTTPS://PAC.METTORIUS.COM/-MD/👉bal👈500/@1234                                                                                    │
 >> ├───────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────┤
 >> │ **RECOMMENDATION** in id segment value @1234                                                                                      │
 >> │ Characters '@' should not be used., Characters SHOULD be limited to upper case letters (A-Z), numbers (0-9), '-' and '+'          │
 >> │                                                                                                                                   │
->> │ HTTPS://PAC.METTORIUS.COM/-MD/240:bal500/21:👉@👈1234                                                                             │
+>> │ HTTPS://PAC.METTORIUS.COM/-MD/bal500/👉@👈1234                                                                                    │
 >> ├───────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────┤
 >> │ **RECOMMENDATION** in id segment value bal500                                                                                     │
->> │ Characters 'a','l','b' should not be used., Characters SHOULD be limited to upper case letters (A-Z), numbers (0-9), '-' and '+'  │
+>> │ Characters 'l','b','a' should not be used., Characters SHOULD be limited to upper case letters (A-Z), numbers (0-9), '-' and '+'  │
 >> │                                                                                                                                   │
->> │ HTTPS://PAC.METTORIUS.COM/-MD/240:👉bal👈500/21:@1234                                                                             │
+>> │ HTTPS://PAC.METTORIUS.COM/-MD/👉bal👈500/@1234                                                                                    │
 >> ├───────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────┤
 >> │ **RECOMMENDATION** in id segment value @1234                                                                                      │
 >> │ Characters '@' should not be used., Characters SHOULD be limited to upper case letters (A-Z), numbers (0-9), '-' and '+'          │
 >> │                                                                                                                                   │
->> │ HTTPS://PAC.METTORIUS.COM/-MD/240:bal500/21:👉@👈1234                                                                             │
+>> │ HTTPS://PAC.METTORIUS.COM/-MD/bal500/👉@👈1234                                                                                    │
 >> └───────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────┘
 ```
 ### Save as QR Code
@@ -148,8 +152,8 @@ if isinstance(pac, PAC_CAT):
 ```
 ```text
 >> Categories in           
->> HTTPS://PAC.METTORIUS.COM/-MD/240:
->>          bal500/21:@1234          
+>> HTTPS://PAC.METTORIUS.COM/-DR/XQ90
+>>       8756/-MD/bal500/@1234       
 >> ┌────────────────────┬───────────┐
 >> │ Main Category      │           │
 >> │ key ()             │  -DR      │
@@ -244,7 +248,7 @@ trex.print_validation_messages()
 >> Validation Results                                            
 >> ┌────────────────────────────────────────────────────────────┐
 >> │ **ERROR** in TREX table column Date                        │
->> │ Column header key contains invalid characters: 'a','t','e' │
+>> │ Column header key contains invalid characters: 't','a','e' │
 >> │                                                            │
 >> │ STOP$T.D:20240505T1306                                     │
 >> │ +TEMP$KEL:10.15                                            │
@@ -252,9 +256,9 @@ trex.print_validation_messages()
 >> │ +COMMENT$T.A:FOO                                           │
 >> │ +COMMENT2$T.T:12G3                                         │
 >> │ +TABLE$$DURATION$HUR:D👉ate👈$T.D:OK$T.B:COMMENT$T.A::     │
->> │  1:20250425T081731.192:T:FOO::                             │
->> │  1.1:20250425T081731.192:T:BAR::                           │
->> │  1.3:20250425T081731.192:F:BLUBB                           │
+>> │  1:20250509T101159.922:T:FOO::                             │
+>> │  1.1:20250509T101159.922:T:BAR::                           │
+>> │  1.3:20250509T101159.922:F:BLUBB                           │
 >> └────────────────────────────────────────────────────────────┘
 ```
 #### Combine PAC-ID and TREX and serialize
@@ -266,7 +270,7 @@ pac_str = pac.to_url()
 print(pac_str)
 ```
 ```text
->> HTTPS://PAC.METTORIUS.COM/21:1234*MYTREX$TREX/STOP$T.D:20240505T1306+TEMP$KEL:10.15+OK$T.B:F+COMMENT$T.A:FOO+COMMENT2$T.T:12G3+TABLE$$DURATION$HUR:Date$T.D:OK$T.B:COMMENT$T.A::1:20250425T081731.192:T:FOO::1.1:20250425T081731.192:T:BAR::1.3:20250425T081731.192:F:BLUBB
+>> HTTPS://PAC.METTORIUS.COM/21:1234*MYTREX$TREX/STOP$T.D:20240505T1306+TEMP$KEL:10.15+OK$T.B:F+COMMENT$T.A:FOO+COMMENT2$T.T:12G3+TABLE$$DURATION$HUR:Date$T.D:OK$T.B:COMMENT$T.A::1:20250509T101159.922:T:FOO::1.1:20250509T101159.922:T:BAR::1.3:20250509T101159.922:F:BLUBB
 ```
 ## PAC-ID Resolver
 
@@ -292,7 +296,6 @@ cit2.origin = 'MY_COMPANY'
 pac_str = 'HTTPS://PAC.METTORIUS.COM/-MS/X3511/CAS:7732-18-5'
 service_groups = PAC_ID_Resolver(cits=[cit, cit2]).resolve(pac_str)
 for sg in service_groups:
-    sg.update_states()
     sg.print()
     
 ```
@@ -303,12 +306,12 @@ for sg in service_groups:
 >> ┡━━━━━━━━━━━━━━╇━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━╇━━━━━━━━━━━┩
 >> │ CAS Search   │ https://pubchem.ncbi.nlm.nih.gov/#query=7732-18-5 │ ACTIVE    │
 >> └──────────────┴───────────────────────────────────────────────────┴───────────┘
->>                                     Services from origin 'MY_COMPANY                                    
->> ┏━━━━━━━━━━━━━━━━━━━━━┳━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━┳━━━━━━━━━━━┓
->> ┃ Service Name        ┃ URL                                                                ┃ Reachable ┃
->> ┡━━━━━━━━━━━━━━━━━━━━━╇━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━╇━━━━━━━━━━━┩
->> │ Chemical Management │ https://chem-manager.com/METTORIUS.COM/-MS/240:X3511/CAS:7732-18-5 │ INACTIVE  │
->> └─────────────────────┴────────────────────────────────────────────────────────────────────┴───────────┘
+>>                                   Services from origin 'MY_COMPANY                                  
+>> ┏━━━━━━━━━━━━━━━━━━━━━┳━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━┳━━━━━━━━━━━┓
+>> ┃ Service Name        ┃ URL                                                            ┃ Reachable ┃
+>> ┡━━━━━━━━━━━━━━━━━━━━━╇━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━╇━━━━━━━━━━━┩
+>> │ Chemical Management │ https://chem-manager.com/METTORIUS.COM/-MS/X3511/CAS:7732-18-5 │ INACTIVE  │
+>> └─────────────────────┴────────────────────────────────────────────────────────────────┴───────────┘
 >>              Services from origin 'METTORIUS.COM              
 >> ┏━━━━━━━━━━━━━━┳━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━┳━━━━━━━━━━━┓
 >> ┃ Service Name ┃ URL                             ┃ Reachable ┃
@@ -324,6 +327,19 @@ for sg in service_groups:
 
 <!-- BEGIN CHANGELOG -->
 ## Change Log
+### v0.2.6
+- PAC_ID.to_url() preserves the identifier as is by default but allows to force short or long notation.
+- PAC-ID Resolver does not try to resolve PAC-CAT with CIT v1.
+  
+### v0.2.5
+- resolvers checks service states by default
+- improvements and bugfixes in conversion from python types to TREX
+- follow better naming conventions in CIT v1 
+  
+### v0.2.4
+- improvements in formatting of validation messages
+- bugfix in DataTable
+ 
 ### v0.2.3
 - improvements in formatting of validation messages
 - bugfix in DisplayNameExtension