diff --git a/ihm_validation/mmcif_io.py b/ihm_validation/mmcif_io.py index 6ad4253d..c68ec04d 100644 --- a/ihm_validation/mmcif_io.py +++ b/ihm_validation/mmcif_io.py @@ -112,6 +112,26 @@ def get_id_from_entry(self) -> str: entry = entry_init.strip() return entry + def get_pdb_id(self) -> str: + """Check database2 table for PDB ID""" + entry_id = None + if len(self.system.databases) > 0: + for db in self.system.databases: + if db.id == 'PDB': + entry_id = db.code + + return entry_id + + def get_pdb_dev_id(self) -> str: + """Check database2 table for PDB ID""" + entry_id = None + if len(self.system.databases) > 0: + for db in self.system.databases: + if db.id == 'PDB-Dev': + entry_id = db.code + + return entry_id + def get_primary_citation_info(self) -> tuple: '''get title and authors for the primary citation''' title, authors = None, None diff --git a/ihm_validation/report.py b/ihm_validation/report.py index c0f18ca2..c1f19426 100644 --- a/ihm_validation/report.py +++ b/ihm_validation/report.py @@ -24,7 +24,7 @@ import numpy as np from selenium import webdriver -REPORT_VERSION = '1.1' +REPORT_VERSION = '1.2-dev' class WriteReport(object): def __init__(self, mmcif_file, db, cache, nocache=False): @@ -87,6 +87,8 @@ def run_entry_composition(self, Template_Dict: dict) -> dict: entry_id[6:])] Template_Dict['ID_R'] = ( entry_id[0:6]+'_'+entry_id[6:]).split() + Template_Dict['PDB_ID'] = self.input.get_pdb_id() + Template_Dict['PDBDEV_ID'] = self.input.get_pdb_dev_id() Template_Dict['Molecule'] = self.input.get_struc_title() Template_Dict['Authors'] = self.input.get_authors() title, authors = self.input.get_primary_citation_info() @@ -493,7 +495,6 @@ def run_supplementary_table(self, Template_Dict['clustering'] = None Template_Dict['location'] = location Template_Dict['complex_name'] = self.input.get_struc_title() - Template_Dict['PDB_ID'] = self.input.get_id() Template_Dict['Subunits'] = utility.get_subunits( self.input.get_composition()) Template_Dict['datasets'] = utility.get_datasets(self.input.get_dataset_details( diff --git a/templates/full_validation_pdf.html b/templates/full_validation_pdf.html index cf6d8070..3350adb5 100644 --- a/templates/full_validation_pdf.html +++ b/templates/full_validation_pdf.html @@ -167,12 +167,24 @@

{{ date }}

- + {% if PDB_ID is not none %} - - + + - + {% endif %} + {% if PDBDEV_ID is not none %} + + + + + {% endif %} + {% if ((PDB_ID is none) and (PDBDEV_ID is none)) %} + + + + + {% endif %} diff --git a/templates/main.html b/templates/main.html index 4eb9ff3b..9e81887d 100644 --- a/templates/main.html +++ b/templates/main.html @@ -36,12 +36,24 @@
Download Summary Table
PDB ID{{ ID_T }}PDB ID{{ PDB_ID }}
PDBDEV ID{{ PDBDEV_ID }}
Entry ID{{ ID_T }}
Structure Name {{ Molecule }}
- + {% if PDB_ID is not none %} - - + + - + {% endif %} + {% if PDBDEV_ID is not none %} + + + + + {% endif %} + {% if ((PDB_ID is none) and (PDBDEV_ID is none)) %} + + + + + {% endif %} diff --git a/templates/summary_validation_pdf.html b/templates/summary_validation_pdf.html index 11006e4e..85906f85 100644 --- a/templates/summary_validation_pdf.html +++ b/templates/summary_validation_pdf.html @@ -65,7 +65,13 @@ + {% if PDB_ID is not none %} +

Summary of integrative structure determination of {{complex_name}} ({{PDB_ID}})

+ {% elif PDBDEV_ID is not none %} +

Summary of integrative structure determination of {{complex_name}} ({{PDBDEV_ID}})

+ {% else %}

Summary of integrative structure determination of {{complex_name}} ({{ID_T}})

+ {% endif %}
PDB ID{{ID_T}}PDB ID{{PDB_ID}}
PDBDEV ID{{PDBDEV_ID}}
Entry ID{{ID_T}}
Structure title {{Molecule}}