CheckCIF-CRYSC01

PROC-NAME: CRYSC01 Type_1

PURPOSE: To check that _exptl_crystal_colour is consistent with expected colour code combinations.

PROCEDURE:

TEST

IF _exptl_crystal_colour ! = (qualifier)(intensity)(base-colour)

issue ALERT C

where allowed values are:

(qualifier)

blank, metallic, lusterous, translucent, fluorescent, clear

(intensity)

blank, dark, light, intense, pale

(base-colour)

white, black, blue, violet, red, pink, yellow, gold, silver, bronze, grey, orange, green, colourless, brown, purple

IF A word has been used that has not been identified as a standard identifier issue ALERT C

         "Alert C The word below has not been recognised as a standard identifier."

IF No recognised colour has been given for crystal colour issue ALERT C

         "Alert C No recognised colour has been given for crystal colour."

IF The identifiers are ordered incorrectly issue ALERT C

         "Alert C There is an ordering error in _exptl_crystal_colour. It should be (QUALIFIER) (INTENSITY) (BASE_COLOUR)."

      _exptl_crystal_colour must be given as a set of specific keywords in the following specific order:

      (QUALIFIER) (INTENSITY) (BASE_COLOUR)

      where (QUALIFIER) and/or (INTENSITY) are optional. These keywords must be chosen from the following list:

      (qualifier) blank, metallic, lustrous, translucent, fluorescent, clear

      (intensity) blank, dark, light, intense, pale

      (base-colour) white, black, blue, violet, red, pink, yellow, gold, silver, bronze, grey, orange, green, colourless, brown, purple

(http://journals.iucr.org/services/cif/checking/CRYSC_01.html)

目的：检查_exptl_crystal_colour是否与预期的颜色代码组合一致。

过程：

检查

若 _exptl_crystal_colour不等于(qualifier)(intensity)(base-colour)

发布C级警告

其中允许的关键词为：

(qualifier)

blank, metallic, lusterous, translucent, fluorescent, clear

(intensity)

blank, dark, light, intense, pale

(base-colour)

white, black, blue, violet, red, pink, yellow, gold, silver, bronze, grey, orange, green, colourless, brown, purple

若使用了一个未被识别为标准标识符的单词，则发布C类警告

         "Alert C The word below has not been recognised as a standard identifier."

若未给出可识别的晶体颜色单词，则发布C类警告

         "Alert C No recognised colour has been given for crystal colour."

若若标识符顺序错误，则发布C类警告

         "Alert C There is an ordering error in _exptl_crystal_colour. It should be (QUALIFIER) (INTENSITY) (BASE_COLOUR)."

        _exptl_crystal_colour必须按以下特定顺序作为一组特定关键词给出：

        (QUALIFIER) (INTENSITY) (BASE_COLOUR)

        其中(QUALIFIER)和/或(INTENSITY)是可选的。这些关键词必须从以下列表中选择：

        (qualifier) blank, metallic, lustrous, translucent, fluorescent, clear

        (intensity) blank, dark, light, intense, pale

        (base-colour) white, black, blue, violet, red, pink, yellow, gold, silver, bronze, grey, orange, green, colourless, brown, purple

警告原因：晶体颜色(_exptl_crystal_colour)描述无法被CheckCIF识别。

解决策略：检查单词拼写是否有错误，是否为CheckCIF可识别的单词。